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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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-ce08442c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-ce08442c/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: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -2045.005261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.005261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.019630 (E_RNA)
where:
Base-Base interactions energy: -1335.882
where: short stacking energy: -555.176
Base-Backbone interact. energy: 3.753
local terms energy: -722.890620
where:
bonds (distance) C4'-P energy: -149.995
bonds (distance) P-C4' energy: -130.523
flat angles C4'-P-C4' energy: -169.906
flat angles P-C4'-P energy: -110.127
tors. eta vs tors. theta energy: -162.340
Dist. restrs. and SS energy: 10.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1923.042340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.042340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.710595 (E_RNA)
where:
Base-Base interactions energy: -1286.896
where: short stacking energy: -566.526
Base-Backbone interact. energy: 2.224
local terms energy: -662.037702
where:
bonds (distance) C4'-P energy: -145.574
bonds (distance) P-C4' energy: -137.686
flat angles C4'-P-C4' energy: -154.819
flat angles P-C4'-P energy: -89.710
tors. eta vs tors. theta energy: -134.250
Dist. restrs. and SS energy: 23.668 (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: 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: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2055.197423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.197423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.642532 (E_RNA)
where:
Base-Base interactions energy: -1356.168
where: short stacking energy: -603.514
Base-Backbone interact. energy: -3.308
local terms energy: -736.166339
where:
bonds (distance) C4'-P energy: -145.333
bonds (distance) P-C4' energy: -146.628
flat angles C4'-P-C4' energy: -170.519
flat angles P-C4'-P energy: -113.587
tors. eta vs tors. theta energy: -160.100
Dist. restrs. and SS energy: 40.445 (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: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -2099.092368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.092368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.541242 (E_RNA)
where:
Base-Base interactions energy: -1389.838
where: short stacking energy: -613.087
Base-Backbone interact. energy: -1.347
local terms energy: -715.356951
where:
bonds (distance) C4'-P energy: -158.252
bonds (distance) P-C4' energy: -139.850
flat angles C4'-P-C4' energy: -159.773
flat angles P-C4'-P energy: -91.739
tors. eta vs tors. theta energy: -165.743
Dist. restrs. and SS energy: 7.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -2090.364984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.364984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.922703 (E_RNA)
where:
Base-Base interactions energy: -1414.742
where: short stacking energy: -594.739
Base-Backbone interact. energy: -0.833
local terms energy: -678.347427
where:
bonds (distance) C4'-P energy: -119.679
bonds (distance) P-C4' energy: -157.268
flat angles C4'-P-C4' energy: -158.815
flat angles P-C4'-P energy: -98.792
tors. eta vs tors. theta energy: -143.793
Dist. restrs. and SS energy: 3.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1926.609794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.609794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.571749 (E_RNA)
where:
Base-Base interactions energy: -1289.820
where: short stacking energy: -554.630
Base-Backbone interact. energy: -0.541
local terms energy: -656.210587
where:
bonds (distance) C4'-P energy: -139.484
bonds (distance) P-C4' energy: -146.134
flat angles C4'-P-C4' energy: -148.293
flat angles P-C4'-P energy: -87.811
tors. eta vs tors. theta energy: -134.489
Dist. restrs. and SS energy: 19.962 (S_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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -2157.911729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.911729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.913560 (E_RNA)
where:
Base-Base interactions energy: -1447.362
where: short stacking energy: -614.315
Base-Backbone interact. energy: 1.229
local terms energy: -739.779912
where:
bonds (distance) C4'-P energy: -154.300
bonds (distance) P-C4' energy: -150.337
flat angles C4'-P-C4' energy: -161.175
flat angles P-C4'-P energy: -108.998
tors. eta vs tors. theta energy: -164.970
Dist. restrs. and SS energy: 28.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2079.746046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.746046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.921998 (E_RNA)
where:
Base-Base interactions energy: -1355.062
where: short stacking energy: -613.842
Base-Backbone interact. energy: -0.938
local terms energy: -743.921484
where:
bonds (distance) C4'-P energy: -139.789
bonds (distance) P-C4' energy: -162.298
flat angles C4'-P-C4' energy: -170.594
flat angles P-C4'-P energy: -101.709
tors. eta vs tors. theta energy: -169.531
Dist. restrs. and SS energy: 20.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2120.608336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.608336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.424316 (E_RNA)
where:
Base-Base interactions energy: -1444.465
where: short stacking energy: -621.736
Base-Backbone interact. energy: -3.168
local terms energy: -677.791219
where:
bonds (distance) C4'-P energy: -131.432
bonds (distance) P-C4' energy: -147.856
flat angles C4'-P-C4' energy: -136.615
flat angles P-C4'-P energy: -96.939
tors. eta vs tors. theta energy: -164.949
Dist. restrs. and SS energy: 4.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -2036.864193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.864193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.460451 (E_RNA)
where:
Base-Base interactions energy: -1334.178
where: short stacking energy: -598.134
Base-Backbone interact. energy: -3.691
local terms energy: -707.591858
where:
bonds (distance) C4'-P energy: -126.291
bonds (distance) P-C4' energy: -148.193
flat angles C4'-P-C4' energy: -168.909
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -161.695
Dist. restrs. and SS energy: 8.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1915.741066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.741066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.027717 (E_RNA)
where:
Base-Base interactions energy: -1295.553
where: short stacking energy: -554.760
Base-Backbone interact. energy: 2.183
local terms energy: -639.657661
where:
bonds (distance) C4'-P energy: -134.853
bonds (distance) P-C4' energy: -138.327
flat angles C4'-P-C4' energy: -132.608
flat angles P-C4'-P energy: -95.784
tors. eta vs tors. theta energy: -138.087
Dist. restrs. and SS energy: 17.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -2146.344149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.344149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.789900 (E_RNA)
where:
Base-Base interactions energy: -1409.027
where: short stacking energy: -615.754
Base-Backbone interact. energy: -2.645
local terms energy: -752.118354
where:
bonds (distance) C4'-P energy: -134.656
bonds (distance) P-C4' energy: -150.482
flat angles C4'-P-C4' energy: -178.381
flat angles P-C4'-P energy: -108.884
tors. eta vs tors. theta energy: -179.715
Dist. restrs. and SS energy: 17.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2230.351196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.351196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.680535 (E_RNA)
where:
Base-Base interactions energy: -1453.820
where: short stacking energy: -663.224
Base-Backbone interact. energy: -3.682
local terms energy: -776.178057
where:
bonds (distance) C4'-P energy: -151.040
bonds (distance) P-C4' energy: -145.531
flat angles C4'-P-C4' energy: -188.605
flat angles P-C4'-P energy: -116.073
tors. eta vs tors. theta energy: -174.929
Dist. restrs. and SS energy: 3.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2064.316206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.316206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.855254 (E_RNA)
where:
Base-Base interactions energy: -1379.090
where: short stacking energy: -606.663
Base-Backbone interact. energy: -0.456
local terms energy: -692.308855
where:
bonds (distance) C4'-P energy: -140.398
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -157.223
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -156.322
Dist. restrs. and SS energy: 7.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2091.792700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.792700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.181596 (E_RNA)
where:
Base-Base interactions energy: -1406.217
where: short stacking energy: -612.954
Base-Backbone interact. energy: 3.113
local terms energy: -698.077504
where:
bonds (distance) C4'-P energy: -136.282
bonds (distance) P-C4' energy: -149.866
flat angles C4'-P-C4' energy: -150.678
flat angles P-C4'-P energy: -112.893
tors. eta vs tors. theta energy: -148.359
Dist. restrs. and SS energy: 9.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1871.691233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.691233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.609516 (E_RNA)
where:
Base-Base interactions energy: -1273.134
where: short stacking energy: -530.755
Base-Backbone interact. energy: 0.388
local terms energy: -616.863263
where:
bonds (distance) C4'-P energy: -124.017
bonds (distance) P-C4' energy: -122.814
flat angles C4'-P-C4' energy: -150.371
flat angles P-C4'-P energy: -96.716
tors. eta vs tors. theta energy: -122.946
Dist. restrs. and SS energy: 17.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2301.947107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.947107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.171530 (E_RNA)
where:
Base-Base interactions energy: -1527.994
where: short stacking energy: -668.727
Base-Backbone interact. energy: -0.334
local terms energy: -781.843683
where:
bonds (distance) C4'-P energy: -139.757
bonds (distance) P-C4' energy: -172.852
flat angles C4'-P-C4' energy: -178.199
flat angles P-C4'-P energy: -109.411
tors. eta vs tors. theta energy: -181.624
Dist. restrs. and SS energy: 8.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2062.595735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.595735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.121195 (E_RNA)
where:
Base-Base interactions energy: -1385.907
where: short stacking energy: -599.722
Base-Backbone interact. energy: 0.272
local terms energy: -696.486630
where:
bonds (distance) C4'-P energy: -138.641
bonds (distance) P-C4' energy: -158.375
flat angles C4'-P-C4' energy: -162.331
flat angles P-C4'-P energy: -87.253
tors. eta vs tors. theta energy: -149.887
Dist. restrs. and SS energy: 19.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2136.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.005640 (E_RNA)
where:
Base-Base interactions energy: -1452.236
where: short stacking energy: -615.669
Base-Backbone interact. energy: 4.875
local terms energy: -702.644276
where:
bonds (distance) C4'-P energy: -146.248
bonds (distance) P-C4' energy: -149.108
flat angles C4'-P-C4' energy: -157.431
flat angles P-C4'-P energy: -94.202
tors. eta vs tors. theta energy: -155.655
Dist. restrs. and SS energy: 13.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -2018.480481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.480481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.427604 (E_RNA)
where:
Base-Base interactions energy: -1353.398
where: short stacking energy: -612.292
Base-Backbone interact. energy: 1.226
local terms energy: -686.255233
where:
bonds (distance) C4'-P energy: -127.310
bonds (distance) P-C4' energy: -149.711
flat angles C4'-P-C4' energy: -174.308
flat angles P-C4'-P energy: -89.246
tors. eta vs tors. theta energy: -145.680
Dist. restrs. and SS energy: 19.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1855.939157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.939157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.871510 (E_RNA)
where:
Base-Base interactions energy: -1241.579
where: short stacking energy: -538.304
Base-Backbone interact. energy: -1.524
local terms energy: -623.767985
where:
bonds (distance) C4'-P energy: -117.039
bonds (distance) P-C4' energy: -150.985
flat angles C4'-P-C4' energy: -142.531
flat angles P-C4'-P energy: -85.026
tors. eta vs tors. theta energy: -128.186
Dist. restrs. and SS energy: 10.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1840.212992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.212992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.297789 (E_RNA)
where:
Base-Base interactions energy: -1215.102
where: short stacking energy: -519.876
Base-Backbone interact. energy: -1.713
local terms energy: -635.482276
where:
bonds (distance) C4'-P energy: -118.949
bonds (distance) P-C4' energy: -147.961
flat angles C4'-P-C4' energy: -152.090
flat angles P-C4'-P energy: -94.467
tors. eta vs tors. theta energy: -122.015
Dist. restrs. and SS energy: 12.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1821.415484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.887709 (E_RNA)
where:
Base-Base interactions energy: -1193.336
where: short stacking energy: -501.657
Base-Backbone interact. energy: -3.056
local terms energy: -632.495302
where:
bonds (distance) C4'-P energy: -136.656
bonds (distance) P-C4' energy: -147.766
flat angles C4'-P-C4' energy: -135.929
flat angles P-C4'-P energy: -80.271
tors. eta vs tors. theta energy: -131.873
Dist. restrs. and SS energy: 7.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1707.342044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.342044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.747018 (E_RNA)
where:
Base-Base interactions energy: -1161.129
where: short stacking energy: -480.228
Base-Backbone interact. energy: -2.987
local terms energy: -551.630648
where:
bonds (distance) C4'-P energy: -114.204
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -137.264
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -109.265
Dist. restrs. and SS energy: 8.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2424.103882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.103882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.670658 (E_RNA)
where:
Base-Base interactions energy: -1605.643
where: short stacking energy: -706.795
Base-Backbone interact. energy: -2.368
local terms energy: -818.660228
where:
bonds (distance) C4'-P energy: -161.705
bonds (distance) P-C4' energy: -159.801
flat angles C4'-P-C4' energy: -174.318
flat angles P-C4'-P energy: -113.866
tors. eta vs tors. theta energy: -208.970
Dist. restrs. and SS energy: 2.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: -2249.868709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.868709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.482491 (E_RNA)
where:
Base-Base interactions energy: -1494.259
where: short stacking energy: -646.098
Base-Backbone interact. energy: 1.385
local terms energy: -769.608525
where:
bonds (distance) C4'-P energy: -149.803
bonds (distance) P-C4' energy: -152.756
flat angles C4'-P-C4' energy: -165.501
flat angles P-C4'-P energy: -123.362
tors. eta vs tors. theta energy: -178.186
Dist. restrs. and SS energy: 12.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2011.794646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.794646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.537763 (E_RNA)
where:
Base-Base interactions energy: -1324.688
where: short stacking energy: -554.221
Base-Backbone interact. energy: -2.041
local terms energy: -708.809525
where:
bonds (distance) C4'-P energy: -161.883
bonds (distance) P-C4' energy: -144.056
flat angles C4'-P-C4' energy: -162.437
flat angles P-C4'-P energy: -80.835
tors. eta vs tors. theta energy: -159.599
Dist. restrs. and SS energy: 23.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1910.604203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.604203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.167058 (E_RNA)
where:
Base-Base interactions energy: -1237.808
where: short stacking energy: -553.269
Base-Backbone interact. energy: 5.551
local terms energy: -691.910222
where:
bonds (distance) C4'-P energy: -156.130
bonds (distance) P-C4' energy: -146.330
flat angles C4'-P-C4' energy: -148.160
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -135.532
Dist. restrs. and SS energy: 13.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1880.413968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.413968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.482237 (E_RNA)
where:
Base-Base interactions energy: -1252.272
where: short stacking energy: -548.680
Base-Backbone interact. energy: 2.901
local terms energy: -635.112055
where:
bonds (distance) C4'-P energy: -149.079
bonds (distance) P-C4' energy: -136.340
flat angles C4'-P-C4' energy: -137.021
flat angles P-C4'-P energy: -82.175
tors. eta vs tors. theta energy: -130.498
Dist. restrs. and SS energy: 4.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1850.136931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.136931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.478372 (E_RNA)
where:
Base-Base interactions energy: -1222.594
where: short stacking energy: -519.572
Base-Backbone interact. energy: -0.668
local terms energy: -637.216419
where:
bonds (distance) C4'-P energy: -132.796
bonds (distance) P-C4' energy: -144.454
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -87.659
tors. eta vs tors. theta energy: -130.551
Dist. restrs. and SS energy: 10.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1768.391022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.391022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.471716 (E_RNA)
where:
Base-Base interactions energy: -1239.533
where: short stacking energy: -520.055
Base-Backbone interact. energy: -2.701
local terms energy: -531.237985
where:
bonds (distance) C4'-P energy: -130.627
bonds (distance) P-C4' energy: -97.072
flat angles C4'-P-C4' energy: -124.834
flat angles P-C4'-P energy: -55.906
tors. eta vs tors. theta energy: -122.799
Dist. restrs. and SS energy: 5.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2401.284650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.284650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.007038 (E_RNA)
where:
Base-Base interactions energy: -1606.454
where: short stacking energy: -691.945
Base-Backbone interact. energy: -2.663
local terms energy: -793.889997
where:
bonds (distance) C4'-P energy: -154.942
bonds (distance) P-C4' energy: -153.868
flat angles C4'-P-C4' energy: -177.790
flat angles P-C4'-P energy: -110.326
tors. eta vs tors. theta energy: -196.964
Dist. restrs. and SS energy: 1.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2384.878722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.878722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.377032 (E_RNA)
where:
Base-Base interactions energy: -1583.068
where: short stacking energy: -686.481
Base-Backbone interact. energy: -0.968
local terms energy: -806.340266
where:
bonds (distance) C4'-P energy: -150.060
bonds (distance) P-C4' energy: -160.223
flat angles C4'-P-C4' energy: -182.977
flat angles P-C4'-P energy: -116.121
tors. eta vs tors. theta energy: -196.958
Dist. restrs. and SS energy: 5.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1958.908395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.908395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.604041 (E_RNA)
where:
Base-Base interactions energy: -1289.716
where: short stacking energy: -586.353
Base-Backbone interact. energy: 3.739
local terms energy: -693.627477
where:
bonds (distance) C4'-P energy: -114.939
bonds (distance) P-C4' energy: -153.774
flat angles C4'-P-C4' energy: -177.753
flat angles P-C4'-P energy: -115.356
tors. eta vs tors. theta energy: -131.804
Dist. restrs. and SS energy: 20.696 (S_DIST_RNA)
chem. 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: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1932.209315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.209315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.307552 (E_RNA)
where:
Base-Base interactions energy: -1282.751
where: short stacking energy: -518.222
Base-Backbone interact. energy: 0.557
local terms energy: -660.114349
where:
bonds (distance) C4'-P energy: -138.960
bonds (distance) P-C4' energy: -161.452
flat angles C4'-P-C4' energy: -147.595
flat angles P-C4'-P energy: -94.886
tors. eta vs tors. theta energy: -117.222
Dist. restrs. and SS energy: 10.098 (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: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1910.259253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.259253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.089702 (E_RNA)
where:
Base-Base interactions energy: -1305.899
where: short stacking energy: -534.573
Base-Backbone interact. energy: -0.575
local terms energy: -609.615120
where:
bonds (distance) C4'-P energy: -125.439
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -143.099
flat angles P-C4'-P energy: -86.250
tors. eta vs tors. theta energy: -116.999
Dist. restrs. and SS energy: 5.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1873.730060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.730060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.058741 (E_RNA)
where:
Base-Base interactions energy: -1245.750
where: short stacking energy: -541.605
Base-Backbone interact. energy: 0.007
local terms energy: -631.315290
where:
bonds (distance) C4'-P energy: -138.036
bonds (distance) P-C4' energy: -138.447
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -147.204
Dist. restrs. and SS energy: 3.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1771.669873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.669873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.706425 (E_RNA)
where:
Base-Base interactions energy: -1216.897
where: short stacking energy: -512.099
Base-Backbone interact. energy: -1.691
local terms energy: -564.117730
where:
bonds (distance) C4'-P energy: -120.196
bonds (distance) P-C4' energy: -141.229
flat angles C4'-P-C4' energy: -108.816
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -125.127
Dist. restrs. and SS energy: 11.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2459.209989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.209989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.953486 (E_RNA)
where:
Base-Base interactions energy: -1631.486
where: short stacking energy: -734.780
Base-Backbone interact. energy: -2.350
local terms energy: -828.117240
where:
bonds (distance) C4'-P energy: -169.000
bonds (distance) P-C4' energy: -158.655
flat angles C4'-P-C4' energy: -185.720
flat angles P-C4'-P energy: -123.716
tors. eta vs tors. theta energy: -191.027
Dist. restrs. and SS energy: 2.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2343.120106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.120106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.352233 (E_RNA)
where:
Base-Base interactions energy: -1569.508
where: short stacking energy: -722.572
Base-Backbone interact. energy: -1.713
local terms energy: -776.131488
where:
bonds (distance) C4'-P energy: -138.596
bonds (distance) P-C4' energy: -150.356
flat angles C4'-P-C4' energy: -167.222
flat angles P-C4'-P energy: -122.922
tors. eta vs tors. theta energy: -197.035
Dist. restrs. and SS energy: 4.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2115.887474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.887474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.086443 (E_RNA)
where:
Base-Base interactions energy: -1382.721
where: short stacking energy: -616.845
Base-Backbone interact. energy: -3.386
local terms energy: -746.978720
where:
bonds (distance) C4'-P energy: -143.394
bonds (distance) P-C4' energy: -148.851
flat angles C4'-P-C4' energy: -164.263
flat angles P-C4'-P energy: -119.023
tors. eta vs tors. theta energy: -171.447
Dist. restrs. and SS energy: 17.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1989.327413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.327413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.840786 (E_RNA)
where:
Base-Base interactions energy: -1327.221
where: short stacking energy: -602.935
Base-Backbone interact. energy: 4.384
local terms energy: -678.004235
where:
bonds (distance) C4'-P energy: -122.526
bonds (distance) P-C4' energy: -142.294
flat angles C4'-P-C4' energy: -150.338
flat angles P-C4'-P energy: -105.922
tors. eta vs tors. theta energy: -156.925
Dist. restrs. and SS energy: 11.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1967.718734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.718734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.556006 (E_RNA)
where:
Base-Base interactions energy: -1297.356
where: short stacking energy: -553.620
Base-Backbone interact. energy: 0.843
local terms energy: -678.043044
where:
bonds (distance) C4'-P energy: -127.916
bonds (distance) P-C4' energy: -149.846
flat angles C4'-P-C4' energy: -154.906
flat angles P-C4'-P energy: -99.071
tors. eta vs tors. theta energy: -146.305
Dist. restrs. and SS energy: 6.837 (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: 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: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1918.468715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.468715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.980604 (E_RNA)
where:
Base-Base interactions energy: -1283.477
where: short stacking energy: -534.522
Base-Backbone interact. energy: 0.962
local terms energy: -642.466113
where:
bonds (distance) C4'-P energy: -143.085
bonds (distance) P-C4' energy: -142.491
flat angles C4'-P-C4' energy: -163.174
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -111.054
Dist. restrs. and SS energy: 6.512 (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: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1911.661402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.661402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.684815 (E_RNA)
where:
Base-Base interactions energy: -1290.280
where: short stacking energy: -576.264
Base-Backbone interact. energy: -3.712
local terms energy: -622.693005
where:
bonds (distance) C4'-P energy: -117.667
bonds (distance) P-C4' energy: -131.942
flat angles C4'-P-C4' energy: -132.102
flat angles P-C4'-P energy: -81.226
tors. eta vs tors. theta energy: -159.757
Dist. restrs. and SS energy: 5.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1793.244785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.244785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.412431 (E_RNA)
where:
Base-Base interactions energy: -1229.047
where: short stacking energy: -506.149
Base-Backbone interact. energy: -5.207
local terms energy: -564.158921
where:
bonds (distance) C4'-P energy: -109.250
bonds (distance) P-C4' energy: -121.848
flat angles C4'-P-C4' energy: -143.514
flat angles P-C4'-P energy: -76.065
tors. eta vs tors. theta energy: -113.483
Dist. restrs. and SS energy: 5.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2494.670006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.670006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.744128 (E_RNA)
where:
Base-Base interactions energy: -1702.579
where: short stacking energy: -775.320
Base-Backbone interact. energy: 4.697
local terms energy: -800.862105
where:
bonds (distance) C4'-P energy: -148.370
bonds (distance) P-C4' energy: -157.943
flat angles C4'-P-C4' energy: -179.963
flat angles P-C4'-P energy: -111.643
tors. eta vs tors. theta energy: -202.942
Dist. restrs. and SS energy: 4.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2459.659458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.659458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.465877 (E_RNA)
where:
Base-Base interactions energy: -1667.802
where: short stacking energy: -730.780
Base-Backbone interact. energy: -0.533
local terms energy: -799.131618
where:
bonds (distance) C4'-P energy: -146.583
bonds (distance) P-C4' energy: -160.788
flat angles C4'-P-C4' energy: -166.096
flat angles P-C4'-P energy: -117.557
tors. eta vs tors. theta energy: -208.108
Dist. restrs. and SS energy: 7.806 (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: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2099.896904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.896904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.077446 (E_RNA)
where:
Base-Base interactions energy: -1403.273
where: short stacking energy: -652.767
Base-Backbone interact. energy: -1.189
local terms energy: -720.614567
where:
bonds (distance) C4'-P energy: -148.429
bonds (distance) P-C4' energy: -147.290
flat angles C4'-P-C4' energy: -153.939
flat angles P-C4'-P energy: -103.612
tors. eta vs tors. theta energy: -167.345
Dist. restrs. and SS energy: 25.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2034.004755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.004755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.449106 (E_RNA)
where:
Base-Base interactions energy: -1343.724
where: short stacking energy: -581.785
Base-Backbone interact. energy: -1.471
local terms energy: -702.254120
where:
bonds (distance) C4'-P energy: -162.001
bonds (distance) P-C4' energy: -122.113
flat angles C4'-P-C4' energy: -161.147
flat angles P-C4'-P energy: -100.765
tors. eta vs tors. theta energy: -156.228
Dist. restrs. and SS energy: 13.444 (S_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: 18
Temperature: 1.150000
Total energy: -2007.857898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.857898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.757076 (E_RNA)
where:
Base-Base interactions energy: -1340.093
where: short stacking energy: -569.601
Base-Backbone interact. energy: 4.584
local terms energy: -682.248056
where:
bonds (distance) C4'-P energy: -136.059
bonds (distance) P-C4' energy: -154.580
flat angles C4'-P-C4' energy: -147.234
flat angles P-C4'-P energy: -89.551
tors. eta vs tors. theta energy: -154.824
Dist. restrs. and SS energy: 9.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1930.729411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.729411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.421810 (E_RNA)
where:
Base-Base interactions energy: -1316.559
where: short stacking energy: -556.129
Base-Backbone interact. energy: 1.732
local terms energy: -620.595581
where:
bonds (distance) C4'-P energy: -98.298
bonds (distance) P-C4' energy: -144.428
flat angles C4'-P-C4' energy: -154.744
flat angles P-C4'-P energy: -87.115
tors. eta vs tors. theta energy: -136.011
Dist. restrs. and SS energy: 4.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1863.823297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.823297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.261719 (E_RNA)
where:
Base-Base interactions energy: -1233.289
where: short stacking energy: -526.864
Base-Backbone interact. energy: 1.641
local terms energy: -642.614116
where:
bonds (distance) C4'-P energy: -135.705
bonds (distance) P-C4' energy: -143.042
flat angles C4'-P-C4' energy: -121.183
flat angles P-C4'-P energy: -101.652
tors. eta vs tors. theta energy: -141.033
Dist. restrs. and SS energy: 10.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1875.411114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.411114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.679747 (E_RNA)
where:
Base-Base interactions energy: -1268.328
where: short stacking energy: -551.919
Base-Backbone interact. energy: -0.241
local terms energy: -612.110623
where:
bonds (distance) C4'-P energy: -121.823
bonds (distance) P-C4' energy: -136.601
flat angles C4'-P-C4' energy: -143.744
flat angles P-C4'-P energy: -75.323
tors. eta vs tors. theta energy: -134.619
Dist. restrs. and SS energy: 5.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2482.983608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.983608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.572441 (E_RNA)
where:
Base-Base interactions energy: -1663.328
where: short stacking energy: -754.585
Base-Backbone interact. energy: 1.076
local terms energy: -824.319979
where:
bonds (distance) C4'-P energy: -159.220
bonds (distance) P-C4' energy: -159.648
flat angles C4'-P-C4' energy: -175.418
flat angles P-C4'-P energy: -117.873
tors. eta vs tors. theta energy: -212.161
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2405.005309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.005309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.211982 (E_RNA)
where:
Base-Base interactions energy: -1630.044
where: short stacking energy: -714.006
Base-Backbone interact. energy: -2.254
local terms energy: -778.914497
where:
bonds (distance) C4'-P energy: -153.030
bonds (distance) P-C4' energy: -151.278
flat angles C4'-P-C4' energy: -174.742
flat angles P-C4'-P energy: -108.024
tors. eta vs tors. theta energy: -191.841
Dist. restrs. and SS energy: 6.207 (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: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2113.026147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.026147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.245033 (E_RNA)
where:
Base-Base interactions energy: -1379.842
where: short stacking energy: -630.315
Base-Backbone interact. energy: -1.072
local terms energy: -759.330924
where:
bonds (distance) C4'-P energy: -144.633
bonds (distance) P-C4' energy: -166.356
flat angles C4'-P-C4' energy: -170.307
flat angles P-C4'-P energy: -99.381
tors. eta vs tors. theta energy: -178.654
Dist. restrs. and SS energy: 27.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1967.807058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.807058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.531468 (E_RNA)
where:
Base-Base interactions energy: -1299.499
where: short stacking energy: -571.838
Base-Backbone interact. energy: -1.231
local terms energy: -684.801667
where:
bonds (distance) C4'-P energy: -143.489
bonds (distance) P-C4' energy: -151.356
flat angles C4'-P-C4' energy: -142.835
flat angles P-C4'-P energy: -82.981
tors. eta vs tors. theta energy: -164.141
Dist. restrs. and SS energy: 17.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2046.068623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.068623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.636888 (E_RNA)
where:
Base-Base interactions energy: -1387.294
where: short stacking energy: -596.577
Base-Backbone interact. energy: -0.366
local terms energy: -660.976737
where:
bonds (distance) C4'-P energy: -144.300
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -152.504
flat angles P-C4'-P energy: -101.065
tors. eta vs tors. theta energy: -141.350
Dist. restrs. and SS energy: 2.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1941.637809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.637809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.495825 (E_RNA)
where:
Base-Base interactions energy: -1316.745
where: short stacking energy: -548.591
Base-Backbone interact. energy: 7.274
local terms energy: -640.024882
where:
bonds (distance) C4'-P energy: -135.944
bonds (distance) P-C4' energy: -140.693
flat angles C4'-P-C4' energy: -140.630
flat angles P-C4'-P energy: -80.329
tors. eta vs tors. theta energy: -142.428
Dist. restrs. and SS energy: 7.858 (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: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1941.482146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.482146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.748028 (E_RNA)
where:
Base-Base interactions energy: -1343.465
where: short stacking energy: -562.415
Base-Backbone interact. energy: -2.638
local terms energy: -597.645532
where:
bonds (distance) C4'-P energy: -114.282
bonds (distance) P-C4' energy: -133.004
flat angles C4'-P-C4' energy: -137.102
flat angles P-C4'-P energy: -91.092
tors. eta vs tors. theta energy: -122.165
Dist. restrs. and SS energy: 2.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1865.479131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.479131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.520087 (E_RNA)
where:
Base-Base interactions energy: -1271.310
where: short stacking energy: -538.313
Base-Backbone interact. energy: -2.519
local terms energy: -599.691123
where:
bonds (distance) C4'-P energy: -133.164
bonds (distance) P-C4' energy: -132.039
flat angles C4'-P-C4' energy: -129.635
flat angles P-C4'-P energy: -77.706
tors. eta vs tors. theta energy: -127.148
Dist. restrs. and SS energy: 8.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1846.265591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.265591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.686384 (E_RNA)
where:
Base-Base interactions energy: -1252.692
where: short stacking energy: -522.086
Base-Backbone interact. energy: 2.981
local terms energy: -599.975092
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -132.665
flat angles C4'-P-C4' energy: -138.477
flat angles P-C4'-P energy: -81.705
tors. eta vs tors. theta energy: -127.551
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2444.735510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.735510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.704370 (E_RNA)
where:
Base-Base interactions energy: -1668.362
where: short stacking energy: -719.786
Base-Backbone interact. energy: -3.563
local terms energy: -775.779421
where:
bonds (distance) C4'-P energy: -151.233
bonds (distance) P-C4' energy: -145.608
flat angles C4'-P-C4' energy: -175.623
flat angles P-C4'-P energy: -109.200
tors. eta vs tors. theta energy: -194.116
Dist. restrs. and SS energy: 2.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2404.876819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.876819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.125094 (E_RNA)
where:
Base-Base interactions energy: -1608.854
where: short stacking energy: -708.367
Base-Backbone interact. energy: -0.255
local terms energy: -804.016652
where:
bonds (distance) C4'-P energy: -150.228
bonds (distance) P-C4' energy: -163.942
flat angles C4'-P-C4' energy: -170.302
flat angles P-C4'-P energy: -123.449
tors. eta vs tors. theta energy: -196.096
Dist. restrs. and SS energy: 8.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2167.789960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.789960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.024322 (E_RNA)
where:
Base-Base interactions energy: -1427.159
where: short stacking energy: -635.887
Base-Backbone interact. energy: -3.341
local terms energy: -755.523800
where:
bonds (distance) C4'-P energy: -159.746
bonds (distance) P-C4' energy: -146.123
flat angles C4'-P-C4' energy: -162.685
flat angles P-C4'-P energy: -108.524
tors. eta vs tors. theta energy: -178.445
Dist. restrs. and SS energy: 18.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2069.714202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.714202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.950884 (E_RNA)
where:
Base-Base interactions energy: -1361.662
where: short stacking energy: -602.948
Base-Backbone interact. energy: -2.638
local terms energy: -711.650462
where:
bonds (distance) C4'-P energy: -134.178
bonds (distance) P-C4' energy: -159.118
flat angles C4'-P-C4' energy: -153.714
flat angles P-C4'-P energy: -107.452
tors. eta vs tors. theta energy: -157.188
Dist. restrs. and SS energy: 6.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -2059.824354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.824354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.555825 (E_RNA)
where:
Base-Base interactions energy: -1367.097
where: short stacking energy: -608.891
Base-Backbone interact. energy: -0.512
local terms energy: -697.947385
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -157.094
flat angles C4'-P-C4' energy: -148.583
flat angles P-C4'-P energy: -100.695
tors. eta vs tors. theta energy: -151.040
Dist. restrs. and SS energy: 5.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1966.804635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.804635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.718668 (E_RNA)
where:
Base-Base interactions energy: -1324.105
where: short stacking energy: -582.498
Base-Backbone interact. energy: 4.266
local terms energy: -651.880055
where:
bonds (distance) C4'-P energy: -119.383
bonds (distance) P-C4' energy: -128.202
flat angles C4'-P-C4' energy: -159.904
flat angles P-C4'-P energy: -94.167
tors. eta vs tors. theta energy: -150.224
Dist. restrs. and SS energy: 4.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1967.157052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.157052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.086418 (E_RNA)
where:
Base-Base interactions energy: -1365.676
where: short stacking energy: -559.713
Base-Backbone interact. energy: -0.612
local terms energy: -602.798045
where:
bonds (distance) C4'-P energy: -119.395
bonds (distance) P-C4' energy: -140.430
flat angles C4'-P-C4' energy: -136.326
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -129.910
Dist. restrs. and SS energy: 1.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1871.401194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.401194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.877889 (E_RNA)
where:
Base-Base interactions energy: -1279.218
where: short stacking energy: -556.645
Base-Backbone interact. energy: 5.569
local terms energy: -610.228279
where:
bonds (distance) C4'-P energy: -135.941
bonds (distance) P-C4' energy: -136.085
flat angles C4'-P-C4' energy: -107.077
flat angles P-C4'-P energy: -78.092
tors. eta vs tors. theta energy: -153.033
Dist. restrs. and SS energy: 12.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1826.543270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.543270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.983286 (E_RNA)
where:
Base-Base interactions energy: -1228.406
where: short stacking energy: -522.912
Base-Backbone interact. energy: -0.670
local terms energy: -605.907009
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -150.265
flat angles C4'-P-C4' energy: -132.663
flat angles P-C4'-P energy: -77.082
tors. eta vs tors. theta energy: -126.521
Dist. restrs. and SS energy: 8.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2535.921827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.921827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.974001 (E_RNA)
where:
Base-Base interactions energy: -1711.777
where: short stacking energy: -759.768
Base-Backbone interact. energy: -2.576
local terms energy: -825.621416
where:
bonds (distance) C4'-P energy: -164.265
bonds (distance) P-C4' energy: -157.480
flat angles C4'-P-C4' energy: -172.599
flat angles P-C4'-P energy: -110.889
tors. eta vs tors. theta energy: -220.389
Dist. restrs. and SS energy: 4.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2402.554868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.554868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.837104 (E_RNA)
where:
Base-Base interactions energy: -1601.134
where: short stacking energy: -704.555
Base-Backbone interact. energy: -1.350
local terms energy: -812.352607
where:
bonds (distance) C4'-P energy: -159.813
bonds (distance) P-C4' energy: -162.909
flat angles C4'-P-C4' energy: -163.959
flat angles P-C4'-P energy: -121.586
tors. eta vs tors. theta energy: -204.085
Dist. restrs. and SS energy: 12.282 (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: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2143.933453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.933453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.472292 (E_RNA)
where:
Base-Base interactions energy: -1421.233
where: short stacking energy: -628.859
Base-Backbone interact. energy: -2.045
local terms energy: -746.194141
where:
bonds (distance) C4'-P energy: -148.992
bonds (distance) P-C4' energy: -147.727
flat angles C4'-P-C4' energy: -160.146
flat angles P-C4'-P energy: -106.635
tors. eta vs tors. theta energy: -182.694
Dist. restrs. and SS energy: 25.539 (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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2032.480652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.480652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.903898 (E_RNA)
where:
Base-Base interactions energy: -1371.207
where: short stacking energy: -594.599
Base-Backbone interact. energy: -0.410
local terms energy: -676.286491
where:
bonds (distance) C4'-P energy: -142.164
bonds (distance) P-C4' energy: -134.887
flat angles C4'-P-C4' energy: -145.856
flat angles P-C4'-P energy: -97.432
tors. eta vs tors. theta energy: -155.947
Dist. restrs. and SS energy: 15.423 (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: 21
Temperature: 1.150000
Total energy: -2045.262211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.262211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.418853 (E_RNA)
where:
Base-Base interactions energy: -1343.334
where: short stacking energy: -589.248
Base-Backbone interact. energy: -2.195
local terms energy: -707.890293
where:
bonds (distance) C4'-P energy: -130.853
bonds (distance) P-C4' energy: -151.752
flat angles C4'-P-C4' energy: -163.999
flat angles P-C4'-P energy: -108.660
tors. eta vs tors. theta energy: -152.626
Dist. restrs. and SS energy: 8.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1977.630500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.630500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.254974 (E_RNA)
where:
Base-Base interactions energy: -1328.723
where: short stacking energy: -550.461
Base-Backbone interact. energy: 10.663
local terms energy: -673.194641
where:
bonds (distance) C4'-P energy: -155.554
bonds (distance) P-C4' energy: -151.741
flat angles C4'-P-C4' energy: -139.985
flat angles P-C4'-P energy: -100.334
tors. eta vs tors. theta energy: -125.581
Dist. restrs. and SS energy: 13.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1966.602047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.186978 (E_RNA)
where:
Base-Base interactions energy: -1331.501
where: short stacking energy: -564.850
Base-Backbone interact. energy: 0.214
local terms energy: -637.899669
where:
bonds (distance) C4'-P energy: -132.315
bonds (distance) P-C4' energy: -130.699
flat angles C4'-P-C4' energy: -125.834
flat angles P-C4'-P energy: -102.887
tors. eta vs tors. theta energy: -146.164
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1871.542206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.542206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.038725 (E_RNA)
where:
Base-Base interactions energy: -1301.091
where: short stacking energy: -528.274
Base-Backbone interact. energy: 0.500
local terms energy: -575.447925
where:
bonds (distance) C4'-P energy: -137.278
bonds (distance) P-C4' energy: -104.483
flat angles C4'-P-C4' energy: -138.898
flat angles P-C4'-P energy: -78.494
tors. eta vs tors. theta energy: -116.295
Dist. restrs. and SS energy: 4.497 (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: 2
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1860.569663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.569663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.109560 (E_RNA)
where:
Base-Base interactions energy: -1250.915
where: short stacking energy: -544.551
Base-Backbone interact. energy: -1.601
local terms energy: -612.593375
where:
bonds (distance) C4'-P energy: -124.598
bonds (distance) P-C4' energy: -134.879
flat angles C4'-P-C4' energy: -114.558
flat angles P-C4'-P energy: -82.317
tors. eta vs tors. theta energy: -156.241
Dist. restrs. and SS energy: 4.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2506.985393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.985393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.569475 (E_RNA)
where:
Base-Base interactions energy: -1699.508
where: short stacking energy: -745.630
Base-Backbone interact. energy: 0.772
local terms energy: -811.832939
where:
bonds (distance) C4'-P energy: -161.804
bonds (distance) P-C4' energy: -158.041
flat angles C4'-P-C4' energy: -161.955
flat angles P-C4'-P energy: -110.444
tors. eta vs tors. theta energy: -219.588
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2380.808195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.808195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.379923 (E_RNA)
where:
Base-Base interactions energy: -1594.229
where: short stacking energy: -701.669
Base-Backbone interact. energy: -2.014
local terms energy: -790.136929
where:
bonds (distance) C4'-P energy: -151.945
bonds (distance) P-C4' energy: -174.609
flat angles C4'-P-C4' energy: -162.335
flat angles P-C4'-P energy: -107.703
tors. eta vs tors. theta energy: -193.545
Dist. restrs. and SS energy: 5.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2146.764421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.764421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.676943 (E_RNA)
where:
Base-Base interactions energy: -1434.873
where: short stacking energy: -659.356
Base-Backbone interact. energy: 0.342
local terms energy: -732.145756
where:
bonds (distance) C4'-P energy: -140.113
bonds (distance) P-C4' energy: -135.157
flat angles C4'-P-C4' energy: -152.342
flat angles P-C4'-P energy: -122.560
tors. eta vs tors. theta energy: -181.974
Dist. restrs. and SS energy: 19.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2095.291928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.291928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.919626 (E_RNA)
where:
Base-Base interactions energy: -1378.425
where: short stacking energy: -617.076
Base-Backbone interact. energy: -0.369
local terms energy: -725.126273
where:
bonds (distance) C4'-P energy: -141.198
bonds (distance) P-C4' energy: -150.524
flat angles C4'-P-C4' energy: -167.380
flat angles P-C4'-P energy: -106.166
tors. eta vs tors. theta energy: -159.858
Dist. restrs. and SS energy: 8.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2031.902457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.902457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.091276 (E_RNA)
where:
Base-Base interactions energy: -1342.635
where: short stacking energy: -593.264
Base-Backbone interact. energy: -1.944
local terms energy: -695.513022
where:
bonds (distance) C4'-P energy: -149.814
bonds (distance) P-C4' energy: -144.131
flat angles C4'-P-C4' energy: -164.956
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -147.864
Dist. restrs. and SS energy: 8.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2015.731088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.731088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.911824 (E_RNA)
where:
Base-Base interactions energy: -1380.828
where: short stacking energy: -568.724
Base-Backbone interact. energy: 1.616
local terms energy: -641.699678
where:
bonds (distance) C4'-P energy: -122.343
bonds (distance) P-C4' energy: -133.782
flat angles C4'-P-C4' energy: -142.712
flat angles P-C4'-P energy: -114.337
tors. eta vs tors. theta energy: -128.526
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1967.723791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.723791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.217670 (E_RNA)
where:
Base-Base interactions energy: -1297.114
where: short stacking energy: -557.789
Base-Backbone interact. energy: 3.649
local terms energy: -678.752524
where:
bonds (distance) C4'-P energy: -129.807
bonds (distance) P-C4' energy: -132.947
flat angles C4'-P-C4' energy: -161.335
flat angles P-C4'-P energy: -112.183
tors. eta vs tors. theta energy: -142.481
Dist. restrs. and SS energy: 4.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1889.540793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.540793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.482191 (E_RNA)
where:
Base-Base interactions energy: -1264.607
where: short stacking energy: -551.359
Base-Backbone interact. energy: -2.423
local terms energy: -628.452177
where:
bonds (distance) C4'-P energy: -119.704
bonds (distance) P-C4' energy: -130.994
flat angles C4'-P-C4' energy: -148.308
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -140.476
Dist. restrs. and SS energy: 5.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1815.905188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.905188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.793028 (E_RNA)
where:
Base-Base interactions energy: -1241.416
where: short stacking energy: -508.720
Base-Backbone interact. energy: -2.018
local terms energy: -577.359305
where:
bonds (distance) C4'-P energy: -127.554
bonds (distance) P-C4' energy: -145.229
flat angles C4'-P-C4' energy: -120.664
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -103.872
Dist. restrs. and SS energy: 4.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2511.160940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.160940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.500820 (E_RNA)
where:
Base-Base interactions energy: -1686.756
where: short stacking energy: -737.508
Base-Backbone interact. energy: -0.697
local terms energy: -825.048629
where:
bonds (distance) C4'-P energy: -163.656
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -176.401
flat angles P-C4'-P energy: -122.307
tors. eta vs tors. theta energy: -207.882
Dist. restrs. and SS energy: 1.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2403.157208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.157208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.037526 (E_RNA)
where:
Base-Base interactions energy: -1587.207
where: short stacking energy: -692.563
Base-Backbone interact. energy: -1.470
local terms energy: -820.359752
where:
bonds (distance) C4'-P energy: -163.042
bonds (distance) P-C4' energy: -164.842
flat angles C4'-P-C4' energy: -174.133
flat angles P-C4'-P energy: -123.756
tors. eta vs tors. theta energy: -194.586
Dist. restrs. and SS energy: 5.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2185.427120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.427120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.672112 (E_RNA)
where:
Base-Base interactions energy: -1451.415
where: short stacking energy: -657.096
Base-Backbone interact. energy: -2.273
local terms energy: -740.983815
where:
bonds (distance) C4'-P energy: -129.324
bonds (distance) P-C4' energy: -152.704
flat angles C4'-P-C4' energy: -160.897
flat angles P-C4'-P energy: -122.176
tors. eta vs tors. theta energy: -175.883
Dist. restrs. and SS energy: 9.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2100.487453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.487453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.444395 (E_RNA)
where:
Base-Base interactions energy: -1394.371
where: short stacking energy: -615.964
Base-Backbone interact. energy: -3.582
local terms energy: -709.490971
where:
bonds (distance) C4'-P energy: -143.442
bonds (distance) P-C4' energy: -148.932
flat angles C4'-P-C4' energy: -156.985
flat angles P-C4'-P energy: -90.131
tors. eta vs tors. theta energy: -170.001
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2103.288942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.288942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.211956 (E_RNA)
where:
Base-Base interactions energy: -1392.891
where: short stacking energy: -591.179
Base-Backbone interact. energy: -1.163
local terms energy: -711.158120
where:
bonds (distance) C4'-P energy: -153.277
bonds (distance) P-C4' energy: -166.612
flat angles C4'-P-C4' energy: -160.215
flat angles P-C4'-P energy: -89.923
tors. eta vs tors. theta energy: -141.132
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -2009.107784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.107784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.491244 (E_RNA)
where:
Base-Base interactions energy: -1354.086
where: short stacking energy: -564.585
Base-Backbone interact. energy: 3.513
local terms energy: -660.918234
where:
bonds (distance) C4'-P energy: -144.497
bonds (distance) P-C4' energy: -137.674
flat angles C4'-P-C4' energy: -146.094
flat angles P-C4'-P energy: -96.465
tors. eta vs tors. theta energy: -136.188
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1989.520112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.520112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.295726 (E_RNA)
where:
Base-Base interactions energy: -1294.807
where: short stacking energy: -578.564
Base-Backbone interact. energy: 2.641
local terms energy: -703.129885
where:
bonds (distance) C4'-P energy: -149.680
bonds (distance) P-C4' energy: -140.505
flat angles C4'-P-C4' energy: -149.983
flat angles P-C4'-P energy: -110.313
tors. eta vs tors. theta energy: -152.649
Dist. restrs. and SS energy: 5.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1896.353047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.353047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.603405 (E_RNA)
where:
Base-Base interactions energy: -1257.818
where: short stacking energy: -520.800
Base-Backbone interact. energy: -2.255
local terms energy: -640.530150
where:
bonds (distance) C4'-P energy: -135.788
bonds (distance) P-C4' energy: -141.774
flat angles C4'-P-C4' energy: -125.428
flat angles P-C4'-P energy: -102.926
tors. eta vs tors. theta energy: -134.614
Dist. restrs. and SS energy: 4.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1811.845028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.845028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.357363 (E_RNA)
where:
Base-Base interactions energy: -1273.616
where: short stacking energy: -548.030
Base-Backbone interact. energy: 0.289
local terms energy: -547.029581
where:
bonds (distance) C4'-P energy: -98.167
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -140.704
flat angles P-C4'-P energy: -61.330
tors. eta vs tors. theta energy: -129.103
Dist. restrs. and SS energy: 8.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2556.655668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.655668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.342786 (E_RNA)
where:
Base-Base interactions energy: -1715.181
where: short stacking energy: -762.221
Base-Backbone interact. energy: -0.132
local terms energy: -844.029732
where:
bonds (distance) C4'-P energy: -154.383
bonds (distance) P-C4' energy: -166.084
flat angles C4'-P-C4' energy: -181.881
flat angles P-C4'-P energy: -126.391
tors. eta vs tors. theta energy: -215.290
Dist. restrs. and SS energy: 2.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2388.994454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.994454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.821279 (E_RNA)
where:
Base-Base interactions energy: -1614.285
where: short stacking energy: -711.900
Base-Backbone interact. energy: 0.810
local terms energy: -782.346193
where:
bonds (distance) C4'-P energy: -153.943
bonds (distance) P-C4' energy: -160.222
flat angles C4'-P-C4' energy: -164.064
flat angles P-C4'-P energy: -107.530
tors. eta vs tors. theta energy: -196.587
Dist. restrs. and SS energy: 6.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2171.727387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.727387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.227088 (E_RNA)
where:
Base-Base interactions energy: -1460.806
where: short stacking energy: -653.636
Base-Backbone interact. energy: 0.954
local terms energy: -724.375003
where:
bonds (distance) C4'-P energy: -154.022
bonds (distance) P-C4' energy: -146.994
flat angles C4'-P-C4' energy: -156.938
flat angles P-C4'-P energy: -101.804
tors. eta vs tors. theta energy: -164.618
Dist. restrs. and SS energy: 12.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2169.647952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.647952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.378217 (E_RNA)
where:
Base-Base interactions energy: -1468.926
where: short stacking energy: -633.051
Base-Backbone interact. energy: -4.251
local terms energy: -706.201391
where:
bonds (distance) C4'-P energy: -132.568
bonds (distance) P-C4' energy: -164.222
flat angles C4'-P-C4' energy: -167.017
flat angles P-C4'-P energy: -84.438
tors. eta vs tors. theta energy: -157.957
Dist. restrs. and SS energy: 9.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2109.057643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.057643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.321423 (E_RNA)
where:
Base-Base interactions energy: -1416.221
where: short stacking energy: -583.706
Base-Backbone interact. energy: 0.247
local terms energy: -694.348268
where:
bonds (distance) C4'-P energy: -149.875
bonds (distance) P-C4' energy: -146.787
flat angles C4'-P-C4' energy: -151.590
flat angles P-C4'-P energy: -104.614
tors. eta vs tors. theta energy: -141.483
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: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2037.636028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.636028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.280375 (E_RNA)
where:
Base-Base interactions energy: -1371.675
where: short stacking energy: -586.764
Base-Backbone interact. energy: -0.679
local terms energy: -668.926549
where:
bonds (distance) C4'-P energy: -132.758
bonds (distance) P-C4' energy: -152.731
flat angles C4'-P-C4' energy: -146.949
flat angles P-C4'-P energy: -92.531
tors. eta vs tors. theta energy: -143.957
Dist. restrs. and SS energy: 3.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -2086.785934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.785934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.445512 (E_RNA)
where:
Base-Base interactions energy: -1418.056
where: short stacking energy: -621.394
Base-Backbone interact. energy: 0.206
local terms energy: -670.594853
where:
bonds (distance) C4'-P energy: -123.533
bonds (distance) P-C4' energy: -129.373
flat angles C4'-P-C4' energy: -154.565
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -167.454
Dist. restrs. and SS energy: 1.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1913.384727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.384727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.367073 (E_RNA)
where:
Base-Base interactions energy: -1333.482
where: short stacking energy: -535.482
Base-Backbone interact. energy: 8.303
local terms energy: -592.187521
where:
bonds (distance) C4'-P energy: -116.267
bonds (distance) P-C4' energy: -130.108
flat angles C4'-P-C4' energy: -119.416
flat angles P-C4'-P energy: -83.310
tors. eta vs tors. theta energy: -143.086
Dist. restrs. and SS energy: 3.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1802.293223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.293223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.087654 (E_RNA)
where:
Base-Base interactions energy: -1213.286
where: short stacking energy: -508.720
Base-Backbone interact. energy: 1.184
local terms energy: -609.986176
where:
bonds (distance) C4'-P energy: -125.817
bonds (distance) P-C4' energy: -142.026
flat angles C4'-P-C4' energy: -128.305
flat angles P-C4'-P energy: -94.189
tors. eta vs tors. theta energy: -119.649
Dist. restrs. and SS energy: 19.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -2527.265456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.265456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.546136 (E_RNA)
where:
Base-Base interactions energy: -1696.444
where: short stacking energy: -758.797
Base-Backbone interact. energy: -2.655
local terms energy: -829.446862
where:
bonds (distance) C4'-P energy: -138.822
bonds (distance) P-C4' energy: -174.378
flat angles C4'-P-C4' energy: -180.783
flat angles P-C4'-P energy: -127.232
tors. eta vs tors. theta energy: -208.231
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2372.093516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.093516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.294781 (E_RNA)
where:
Base-Base interactions energy: -1589.432
where: short stacking energy: -686.505
Base-Backbone interact. energy: 3.678
local terms energy: -789.541277
where:
bonds (distance) C4'-P energy: -148.405
bonds (distance) P-C4' energy: -159.123
flat angles C4'-P-C4' energy: -165.205
flat angles P-C4'-P energy: -120.996
tors. eta vs tors. theta energy: -195.813
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: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2176.004812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.004812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.473980 (E_RNA)
where:
Base-Base interactions energy: -1432.198
where: short stacking energy: -660.103
Base-Backbone interact. energy: -2.141
local terms energy: -753.134493
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -149.790
flat angles C4'-P-C4' energy: -165.228
flat angles P-C4'-P energy: -103.586
tors. eta vs tors. theta energy: -192.140
Dist. restrs. and SS energy: 11.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2169.648697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.648697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.658189 (E_RNA)
where:
Base-Base interactions energy: -1451.064
where: short stacking energy: -633.236
Base-Backbone interact. energy: -1.316
local terms energy: -729.278113
where:
bonds (distance) C4'-P energy: -147.784
bonds (distance) P-C4' energy: -142.703
flat angles C4'-P-C4' energy: -179.578
flat angles P-C4'-P energy: -103.753
tors. eta vs tors. theta energy: -155.460
Dist. restrs. and SS energy: 12.009 (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: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2096.179142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.179142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.255630 (E_RNA)
where:
Base-Base interactions energy: -1421.108
where: short stacking energy: -617.435
Base-Backbone interact. energy: 0.003
local terms energy: -678.150320
where:
bonds (distance) C4'-P energy: -152.475
bonds (distance) P-C4' energy: -137.869
flat angles C4'-P-C4' energy: -145.713
flat angles P-C4'-P energy: -89.356
tors. eta vs tors. theta energy: -152.738
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2060.608271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.608271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.619803 (E_RNA)
where:
Base-Base interactions energy: -1368.536
where: short stacking energy: -587.508
Base-Backbone interact. energy: -2.247
local terms energy: -691.837093
where:
bonds (distance) C4'-P energy: -137.728
bonds (distance) P-C4' energy: -151.973
flat angles C4'-P-C4' energy: -146.004
flat angles P-C4'-P energy: -100.809
tors. eta vs tors. theta energy: -155.324
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: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -2065.522904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.522904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.750296 (E_RNA)
where:
Base-Base interactions energy: -1382.114
where: short stacking energy: -590.320
Base-Backbone interact. energy: 1.132
local terms energy: -687.768415
where:
bonds (distance) C4'-P energy: -120.443
bonds (distance) P-C4' energy: -155.904
flat angles C4'-P-C4' energy: -146.140
flat angles P-C4'-P energy: -96.075
tors. eta vs tors. theta energy: -169.206
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1889.943781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.943781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.280711 (E_RNA)
where:
Base-Base interactions energy: -1259.696
where: short stacking energy: -519.594
Base-Backbone interact. energy: 0.174
local terms energy: -633.758127
where:
bonds (distance) C4'-P energy: -144.196
bonds (distance) P-C4' energy: -118.240
flat angles C4'-P-C4' energy: -138.180
flat angles P-C4'-P energy: -96.264
tors. eta vs tors. theta energy: -136.878
Dist. restrs. and SS energy: 3.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1797.309242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.309242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.985850 (E_RNA)
where:
Base-Base interactions energy: -1170.801
where: short stacking energy: -499.528
Base-Backbone interact. energy: -0.130
local terms energy: -635.054772
where:
bonds (distance) C4'-P energy: -119.278
bonds (distance) P-C4' energy: -149.879
flat angles C4'-P-C4' energy: -133.058
flat angles P-C4'-P energy: -94.204
tors. eta vs tors. theta energy: -138.636
Dist. restrs. and SS energy: 8.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 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: -2553.410343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.410343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.934431 (E_RNA)
where:
Base-Base interactions energy: -1720.991
where: short stacking energy: -753.870
Base-Backbone interact. energy: 0.321
local terms energy: -835.264112
where:
bonds (distance) C4'-P energy: -163.766
bonds (distance) P-C4' energy: -165.069
flat angles C4'-P-C4' energy: -171.331
flat angles P-C4'-P energy: -118.608
tors. eta vs tors. theta energy: -216.491
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2421.845997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.845997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.739217 (E_RNA)
where:
Base-Base interactions energy: -1637.153
where: short stacking energy: -725.957
Base-Backbone interact. energy: -2.218
local terms energy: -789.368594
where:
bonds (distance) C4'-P energy: -153.880
bonds (distance) P-C4' energy: -162.993
flat angles C4'-P-C4' energy: -167.425
flat angles P-C4'-P energy: -109.516
tors. eta vs tors. theta energy: -195.554
Dist. restrs. and SS energy: 6.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2194.114310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.114310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.154669 (E_RNA)
where:
Base-Base interactions energy: -1490.806
where: short stacking energy: -688.021
Base-Backbone interact. energy: -0.450
local terms energy: -713.898457
where:
bonds (distance) C4'-P energy: -118.730
bonds (distance) P-C4' energy: -152.962
flat angles C4'-P-C4' energy: -145.575
flat angles P-C4'-P energy: -113.462
tors. eta vs tors. theta energy: -183.169
Dist. restrs. and SS energy: 11.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2162.103239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.103239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.923942 (E_RNA)
where:
Base-Base interactions energy: -1452.379
where: short stacking energy: -635.970
Base-Backbone interact. energy: 0.288
local terms energy: -714.832542
where:
bonds (distance) C4'-P energy: -159.477
bonds (distance) P-C4' energy: -147.001
flat angles C4'-P-C4' energy: -155.029
flat angles P-C4'-P energy: -101.246
tors. eta vs tors. theta energy: -152.080
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2104.356542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.356542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.666154 (E_RNA)
where:
Base-Base interactions energy: -1420.212
where: short stacking energy: -603.909
Base-Backbone interact. energy: -3.425
local terms energy: -685.028823
where:
bonds (distance) C4'-P energy: -143.247
bonds (distance) P-C4' energy: -151.561
flat angles C4'-P-C4' energy: -137.431
flat angles P-C4'-P energy: -97.954
tors. eta vs tors. theta energy: -154.836
Dist. restrs. and SS energy: 4.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2100.322982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.322982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.742837 (E_RNA)
where:
Base-Base interactions energy: -1416.619
where: short stacking energy: -627.129
Base-Backbone interact. energy: 5.766
local terms energy: -691.889559
where:
bonds (distance) C4'-P energy: -122.043
bonds (distance) P-C4' energy: -136.991
flat angles C4'-P-C4' energy: -146.197
flat angles P-C4'-P energy: -104.000
tors. eta vs tors. theta energy: -182.659
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -2011.519701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.519701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.804821 (E_RNA)
where:
Base-Base interactions energy: -1358.097
where: short stacking energy: -583.059
Base-Backbone interact. energy: -0.598
local terms energy: -656.109467
where:
bonds (distance) C4'-P energy: -122.332
bonds (distance) P-C4' energy: -150.419
flat angles C4'-P-C4' energy: -132.146
flat angles P-C4'-P energy: -106.826
tors. eta vs tors. theta energy: -144.387
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: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1886.225465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.225465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.276218 (E_RNA)
where:
Base-Base interactions energy: -1302.759
where: short stacking energy: -529.174
Base-Backbone interact. energy: -0.090
local terms energy: -586.427805
where:
bonds (distance) C4'-P energy: -121.685
bonds (distance) P-C4' energy: -127.592
flat angles C4'-P-C4' energy: -134.423
flat angles P-C4'-P energy: -79.168
tors. eta vs tors. theta energy: -123.560
Dist. restrs. and SS energy: 3.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1805.886034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.886034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.449571 (E_RNA)
where:
Base-Base interactions energy: -1207.439
where: short stacking energy: -499.100
Base-Backbone interact. energy: 7.842
local terms energy: -611.852114
where:
bonds (distance) C4'-P energy: -119.184
bonds (distance) P-C4' energy: -137.512
flat angles C4'-P-C4' energy: -153.065
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -128.101
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: 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: -2523.554728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.554728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.217465 (E_RNA)
where:
Base-Base interactions energy: -1708.664
where: short stacking energy: -728.168
Base-Backbone interact. energy: 1.231
local terms energy: -817.784190
where:
bonds (distance) C4'-P energy: -141.731
bonds (distance) P-C4' energy: -152.901
flat angles C4'-P-C4' energy: -184.240
flat angles P-C4'-P energy: -130.607
tors. eta vs tors. theta energy: -208.305
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2409.542374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.542374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.204454 (E_RNA)
where:
Base-Base interactions energy: -1625.016
where: short stacking energy: -709.380
Base-Backbone interact. energy: -1.698
local terms energy: -790.490149
where:
bonds (distance) C4'-P energy: -135.273
bonds (distance) P-C4' energy: -147.610
flat angles C4'-P-C4' energy: -167.895
flat angles P-C4'-P energy: -129.056
tors. eta vs tors. theta energy: -210.656
Dist. restrs. and SS energy: 7.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2245.428452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.428452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.306956 (E_RNA)
where:
Base-Base interactions energy: -1482.344
where: short stacking energy: -676.733
Base-Backbone interact. energy: 0.496
local terms energy: -769.459206
where:
bonds (distance) C4'-P energy: -129.263
bonds (distance) P-C4' energy: -171.736
flat angles C4'-P-C4' energy: -163.048
flat angles P-C4'-P energy: -115.984
tors. eta vs tors. theta energy: -189.429
Dist. restrs. and SS energy: 5.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2169.540284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.540284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.651933 (E_RNA)
where:
Base-Base interactions energy: -1441.461
where: short stacking energy: -685.192
Base-Backbone interact. energy: 1.614
local terms energy: -742.804774
where:
bonds (distance) C4'-P energy: -149.212
bonds (distance) P-C4' energy: -138.503
flat angles C4'-P-C4' energy: -170.947
flat angles P-C4'-P energy: -96.735
tors. eta vs tors. theta energy: -187.407
Dist. restrs. and SS energy: 13.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2088.512566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.512566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.260305 (E_RNA)
where:
Base-Base interactions energy: -1426.635
where: short stacking energy: -612.254
Base-Backbone interact. energy: -2.499
local terms energy: -662.125899
where:
bonds (distance) C4'-P energy: -122.526
bonds (distance) P-C4' energy: -115.351
flat angles C4'-P-C4' energy: -168.895
flat angles P-C4'-P energy: -91.372
tors. eta vs tors. theta energy: -163.982
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: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2086.617102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.617102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.444696 (E_RNA)
where:
Base-Base interactions energy: -1410.617
where: short stacking energy: -610.189
Base-Backbone interact. energy: -1.267
local terms energy: -676.560644
where:
bonds (distance) C4'-P energy: -152.436
bonds (distance) P-C4' energy: -134.701
flat angles C4'-P-C4' energy: -134.052
flat angles P-C4'-P energy: -86.519
tors. eta vs tors. theta energy: -168.853
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -2036.265300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.265300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.358436 (E_RNA)
where:
Base-Base interactions energy: -1385.466
where: short stacking energy: -586.493
Base-Backbone interact. energy: 1.360
local terms energy: -654.252630
where:
bonds (distance) C4'-P energy: -133.179
bonds (distance) P-C4' energy: -143.165
flat angles C4'-P-C4' energy: -155.999
flat angles P-C4'-P energy: -75.046
tors. eta vs tors. theta energy: -146.864
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1888.012390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.012390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.327347 (E_RNA)
where:
Base-Base interactions energy: -1300.716
where: short stacking energy: -525.406
Base-Backbone interact. energy: 3.435
local terms energy: -594.046731
where:
bonds (distance) C4'-P energy: -124.168
bonds (distance) P-C4' energy: -129.960
flat angles C4'-P-C4' energy: -137.845
flat angles P-C4'-P energy: -84.627
tors. eta vs tors. theta energy: -117.447
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1736.133722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.133722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.944997 (E_RNA)
where:
Base-Base interactions energy: -1171.588
where: short stacking energy: -465.257
Base-Backbone interact. energy: -3.959
local terms energy: -571.397597
where:
bonds (distance) C4'-P energy: -131.787
bonds (distance) P-C4' energy: -126.761
flat angles C4'-P-C4' energy: -136.114
flat angles P-C4'-P energy: -69.325
tors. eta vs tors. theta energy: -107.410
Dist. restrs. and SS energy: 10.811 (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: 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: -2521.662688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.662688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.083064 (E_RNA)
where:
Base-Base interactions energy: -1701.294
where: short stacking energy: -748.916
Base-Backbone interact. energy: -1.815
local terms energy: -820.974583
where:
bonds (distance) C4'-P energy: -152.255
bonds (distance) P-C4' energy: -161.404
flat angles C4'-P-C4' energy: -175.964
flat angles P-C4'-P energy: -118.561
tors. eta vs tors. theta energy: -212.790
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2463.193105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.193105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.103632 (E_RNA)
where:
Base-Base interactions energy: -1683.676
where: short stacking energy: -743.323
Base-Backbone interact. energy: -1.063
local terms energy: -787.364978
where:
bonds (distance) C4'-P energy: -150.081
bonds (distance) P-C4' energy: -154.580
flat angles C4'-P-C4' energy: -161.080
flat angles P-C4'-P energy: -122.334
tors. eta vs tors. theta energy: -199.290
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: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2206.909092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.909092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.537155 (E_RNA)
where:
Base-Base interactions energy: -1482.567
where: short stacking energy: -629.893
Base-Backbone interact. energy: 5.999
local terms energy: -735.968949
where:
bonds (distance) C4'-P energy: -137.962
bonds (distance) P-C4' energy: -153.665
flat angles C4'-P-C4' energy: -161.749
flat angles P-C4'-P energy: -110.015
tors. eta vs tors. theta energy: -172.578
Dist. restrs. and SS energy: 5.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2268.220224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.220224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.699996 (E_RNA)
where:
Base-Base interactions energy: -1530.396
where: short stacking energy: -655.161
Base-Backbone interact. energy: 2.041
local terms energy: -741.345556
where:
bonds (distance) C4'-P energy: -148.049
bonds (distance) P-C4' energy: -146.390
flat angles C4'-P-C4' energy: -153.947
flat angles P-C4'-P energy: -106.432
tors. eta vs tors. theta energy: -186.528
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: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2138.959948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.959948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.088294 (E_RNA)
where:
Base-Base interactions energy: -1436.089
where: short stacking energy: -652.733
Base-Backbone interact. energy: 1.077
local terms energy: -716.075874
where:
bonds (distance) C4'-P energy: -143.382
bonds (distance) P-C4' energy: -138.835
flat angles C4'-P-C4' energy: -152.509
flat angles P-C4'-P energy: -94.473
tors. eta vs tors. theta energy: -186.877
Dist. restrs. and SS energy: 12.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2080.737863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.737863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.554177 (E_RNA)
where:
Base-Base interactions energy: -1398.127
where: short stacking energy: -600.655
Base-Backbone interact. energy: 0.369
local terms energy: -685.796771
where:
bonds (distance) C4'-P energy: -141.845
bonds (distance) P-C4' energy: -138.949
flat angles C4'-P-C4' energy: -151.545
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -156.862
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1974.909197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.909197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.325982 (E_RNA)
where:
Base-Base interactions energy: -1375.252
where: short stacking energy: -572.222
Base-Backbone interact. energy: 4.888
local terms energy: -607.961967
where:
bonds (distance) C4'-P energy: -125.918
bonds (distance) P-C4' energy: -130.189
flat angles C4'-P-C4' energy: -137.756
flat angles P-C4'-P energy: -81.661
tors. eta vs tors. theta energy: -132.439
Dist. restrs. and SS energy: 3.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1904.996062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.996062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.549848 (E_RNA)
where:
Base-Base interactions energy: -1283.476
where: short stacking energy: -535.940
Base-Backbone interact. energy: -3.332
local terms energy: -623.741936
where:
bonds (distance) C4'-P energy: -115.752
bonds (distance) P-C4' energy: -139.949
flat angles C4'-P-C4' energy: -140.823
flat angles P-C4'-P energy: -86.583
tors. eta vs tors. theta energy: -140.634
Dist. restrs. and SS energy: 5.554 (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: 28
Temperature: 1.350000
Total energy: -1810.573972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.573972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.381680 (E_RNA)
where:
Base-Base interactions energy: -1234.336
where: short stacking energy: -513.778
Base-Backbone interact. energy: -1.968
local terms energy: -580.077733
where:
bonds (distance) C4'-P energy: -138.016
bonds (distance) P-C4' energy: -109.313
flat angles C4'-P-C4' energy: -129.288
flat angles P-C4'-P energy: -79.761
tors. eta vs tors. theta energy: -123.700
Dist. restrs. and SS energy: 5.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2652.746990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.746990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.424405 (E_RNA)
where:
Base-Base interactions energy: -1815.920
where: short stacking energy: -826.384
Base-Backbone interact. energy: -0.615
local terms energy: -837.890210
where:
bonds (distance) C4'-P energy: -166.413
bonds (distance) P-C4' energy: -151.781
flat angles C4'-P-C4' energy: -173.545
flat angles P-C4'-P energy: -120.295
tors. eta vs tors. theta energy: -225.856
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2498.208417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.208417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.211301 (E_RNA)
where:
Base-Base interactions energy: -1685.913
where: short stacking energy: -740.658
Base-Backbone interact. energy: -1.844
local terms energy: -816.454287
where:
bonds (distance) C4'-P energy: -150.736
bonds (distance) P-C4' energy: -155.283
flat angles C4'-P-C4' energy: -171.010
flat angles P-C4'-P energy: -123.504
tors. eta vs tors. theta energy: -215.922
Dist. restrs. and SS energy: 6.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2445.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.791313 (E_RNA)
where:
Base-Base interactions energy: -1641.239
where: short stacking energy: -750.071
Base-Backbone interact. energy: -2.846
local terms energy: -805.705770
where:
bonds (distance) C4'-P energy: -165.528
bonds (distance) P-C4' energy: -133.589
flat angles C4'-P-C4' energy: -181.531
flat angles P-C4'-P energy: -121.320
tors. eta vs tors. theta energy: -203.738
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2314.653782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.653782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.923796 (E_RNA)
where:
Base-Base interactions energy: -1563.669
where: short stacking energy: -670.896
Base-Backbone interact. energy: -1.189
local terms energy: -751.066338
where:
bonds (distance) C4'-P energy: -145.581
bonds (distance) P-C4' energy: -150.466
flat angles C4'-P-C4' energy: -158.167
flat angles P-C4'-P energy: -111.971
tors. eta vs tors. theta energy: -184.882
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2169.423805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.423805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.470736 (E_RNA)
where:
Base-Base interactions energy: -1474.711
where: short stacking energy: -648.081
Base-Backbone interact. energy: -0.328
local terms energy: -700.431401
where:
bonds (distance) C4'-P energy: -134.483
bonds (distance) P-C4' energy: -145.161
flat angles C4'-P-C4' energy: -145.338
flat angles P-C4'-P energy: -103.870
tors. eta vs tors. theta energy: -171.579
Dist. restrs. and SS energy: 6.047 (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: 29
Temperature: 1.150000
Total energy: -2152.892851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.892851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.244698 (E_RNA)
where:
Base-Base interactions energy: -1455.673
where: short stacking energy: -633.317
Base-Backbone interact. energy: -3.124
local terms energy: -695.447493
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -126.102
flat angles C4'-P-C4' energy: -163.302
flat angles P-C4'-P energy: -100.827
tors. eta vs tors. theta energy: -184.092
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: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2008.762444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.762444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.522368 (E_RNA)
where:
Base-Base interactions energy: -1347.003
where: short stacking energy: -599.981
Base-Backbone interact. energy: -2.654
local terms energy: -667.864799
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -140.710
flat angles C4'-P-C4' energy: -154.058
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 8.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1936.252546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.252546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.580348 (E_RNA)
where:
Base-Base interactions energy: -1319.388
where: short stacking energy: -543.547
Base-Backbone interact. energy: 0.904
local terms energy: -622.095931
where:
bonds (distance) C4'-P energy: -120.643
bonds (distance) P-C4' energy: -120.303
flat angles C4'-P-C4' energy: -148.331
flat angles P-C4'-P energy: -96.419
tors. eta vs tors. theta energy: -136.399
Dist. restrs. and SS energy: 4.328 (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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1905.985042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.985042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.882715 (E_RNA)
where:
Base-Base interactions energy: -1277.155
where: short stacking energy: -522.250
Base-Backbone interact. energy: 0.725
local terms energy: -632.452191
where:
bonds (distance) C4'-P energy: -132.754
bonds (distance) P-C4' energy: -148.866
flat angles C4'-P-C4' energy: -137.053
flat angles P-C4'-P energy: -77.163
tors. eta vs tors. theta energy: -136.615
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1848.917348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.917348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.272543 (E_RNA)
where:
Base-Base interactions energy: -1261.801
where: short stacking energy: -521.421
Base-Backbone interact. energy: -3.073
local terms energy: -587.398661
where:
bonds (distance) C4'-P energy: -140.764
bonds (distance) P-C4' energy: -105.790
flat angles C4'-P-C4' energy: -126.830
flat angles P-C4'-P energy: -90.583
tors. eta vs tors. theta energy: -123.432
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2672.738949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.738949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.225871 (E_RNA)
where:
Base-Base interactions energy: -1823.840
where: short stacking energy: -805.493
Base-Backbone interact. energy: -2.031
local terms energy: -848.354052
where:
bonds (distance) C4'-P energy: -171.289
bonds (distance) P-C4' energy: -157.945
flat angles C4'-P-C4' energy: -176.338
flat angles P-C4'-P energy: -118.699
tors. eta vs tors. theta energy: -224.083
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2504.214687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.214687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.615526 (E_RNA)
where:
Base-Base interactions energy: -1676.863
where: short stacking energy: -746.421
Base-Backbone interact. energy: -4.431
local terms energy: -826.321241
where:
bonds (distance) C4'-P energy: -141.628
bonds (distance) P-C4' energy: -165.657
flat angles C4'-P-C4' energy: -181.429
flat angles P-C4'-P energy: -126.339
tors. eta vs tors. theta energy: -211.269
Dist. restrs. and SS energy: 3.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2473.561461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.561461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.809543 (E_RNA)
where:
Base-Base interactions energy: -1694.394
where: short stacking energy: -725.571
Base-Backbone interact. energy: -1.932
local terms energy: -779.482774
where:
bonds (distance) C4'-P energy: -151.008
bonds (distance) P-C4' energy: -155.561
flat angles C4'-P-C4' energy: -179.562
flat angles P-C4'-P energy: -93.465
tors. eta vs tors. theta energy: -199.887
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2334.331819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.331819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.869341 (E_RNA)
where:
Base-Base interactions energy: -1533.501
where: short stacking energy: -663.045
Base-Backbone interact. energy: -2.398
local terms energy: -800.970368
where:
bonds (distance) C4'-P energy: -154.457
bonds (distance) P-C4' energy: -157.616
flat angles C4'-P-C4' energy: -168.915
flat angles P-C4'-P energy: -122.245
tors. eta vs tors. theta energy: -197.738
Dist. restrs. and SS energy: 2.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2249.702959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.702959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.990762 (E_RNA)
where:
Base-Base interactions energy: -1500.626
where: short stacking energy: -667.960
Base-Backbone interact. energy: -0.813
local terms energy: -751.551885
where:
bonds (distance) C4'-P energy: -146.325
bonds (distance) P-C4' energy: -155.905
flat angles C4'-P-C4' energy: -171.954
flat angles P-C4'-P energy: -94.493
tors. eta vs tors. theta energy: -182.874
Dist. restrs. and SS energy: 3.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2140.249853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.249853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.444785 (E_RNA)
where:
Base-Base interactions energy: -1455.895
where: short stacking energy: -630.025
Base-Backbone interact. energy: -0.487
local terms energy: -686.063123
where:
bonds (distance) C4'-P energy: -122.902
bonds (distance) P-C4' energy: -132.268
flat angles C4'-P-C4' energy: -143.180
flat angles P-C4'-P energy: -109.902
tors. eta vs tors. theta energy: -177.811
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: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1985.222502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.222502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.176555 (E_RNA)
where:
Base-Base interactions energy: -1345.931
where: short stacking energy: -567.761
Base-Backbone interact. energy: -2.877
local terms energy: -640.367839
where:
bonds (distance) C4'-P energy: -143.359
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -115.866
flat angles P-C4'-P energy: -93.948
tors. eta vs tors. theta energy: -143.043
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: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1984.676528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.676528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.480100 (E_RNA)
where:
Base-Base interactions energy: -1363.029
where: short stacking energy: -548.564
Base-Backbone interact. energy: -1.520
local terms energy: -621.930422
where:
bonds (distance) C4'-P energy: -142.851
bonds (distance) P-C4' energy: -145.740
flat angles C4'-P-C4' energy: -136.575
flat angles P-C4'-P energy: -81.935
tors. eta vs tors. theta energy: -114.828
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1933.188658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.188658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.090742 (E_RNA)
where:
Base-Base interactions energy: -1308.143
where: short stacking energy: -548.164
Base-Backbone interact. energy: -2.958
local terms energy: -623.988930
where:
bonds (distance) C4'-P energy: -127.565
bonds (distance) P-C4' energy: -126.119
flat angles C4'-P-C4' energy: -155.493
flat angles P-C4'-P energy: -94.920
tors. eta vs tors. theta energy: -119.893
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1841.652402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.652402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.888339 (E_RNA)
where:
Base-Base interactions energy: -1259.874
where: short stacking energy: -513.147
Base-Backbone interact. energy: -2.741
local terms energy: -583.274003
where:
bonds (distance) C4'-P energy: -119.600
bonds (distance) P-C4' energy: -131.086
flat angles C4'-P-C4' energy: -123.668
flat angles P-C4'-P energy: -78.973
tors. eta vs tors. theta energy: -129.948
Dist. restrs. and SS energy: 4.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2678.455238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.455238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.697403 (E_RNA)
where:
Base-Base interactions energy: -1827.421
where: short stacking energy: -797.258
Base-Backbone interact. energy: -3.450
local terms energy: -848.826164
where:
bonds (distance) C4'-P energy: -157.216
bonds (distance) P-C4' energy: -166.819
flat angles C4'-P-C4' energy: -175.454
flat angles P-C4'-P energy: -117.985
tors. eta vs tors. theta energy: -231.351
Dist. restrs. and SS energy: 1.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2495.781093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.781093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.167930 (E_RNA)
where:
Base-Base interactions energy: -1682.112
where: short stacking energy: -774.223
Base-Backbone interact. energy: -0.697
local terms energy: -819.358539
where:
bonds (distance) C4'-P energy: -144.289
bonds (distance) P-C4' energy: -161.574
flat angles C4'-P-C4' energy: -183.636
flat angles P-C4'-P energy: -114.601
tors. eta vs tors. theta energy: -215.258
Dist. restrs. and SS energy: 6.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2466.841595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.841595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.652823 (E_RNA)
where:
Base-Base interactions energy: -1679.672
where: short stacking energy: -706.423
Base-Backbone interact. energy: -5.051
local terms energy: -783.930255
where:
bonds (distance) C4'-P energy: -153.644
bonds (distance) P-C4' energy: -152.855
flat angles C4'-P-C4' energy: -171.771
flat angles P-C4'-P energy: -109.318
tors. eta vs tors. theta energy: -196.343
Dist. restrs. and SS energy: 1.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2368.302870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.302870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.837691 (E_RNA)
where:
Base-Base interactions energy: -1596.861
where: short stacking energy: -683.263
Base-Backbone interact. energy: 1.196
local terms energy: -775.172834
where:
bonds (distance) C4'-P energy: -148.947
bonds (distance) P-C4' energy: -159.139
flat angles C4'-P-C4' energy: -167.273
flat angles P-C4'-P energy: -107.220
tors. eta vs tors. theta energy: -192.594
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: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2254.001581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.001581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.059851 (E_RNA)
where:
Base-Base interactions energy: -1531.193
where: short stacking energy: -654.290
Base-Backbone interact. energy: 1.255
local terms energy: -726.122503
where:
bonds (distance) C4'-P energy: -151.865
bonds (distance) P-C4' energy: -139.911
flat angles C4'-P-C4' energy: -168.397
flat angles P-C4'-P energy: -83.957
tors. eta vs tors. theta energy: -181.993
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2162.502417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.502417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.887577 (E_RNA)
where:
Base-Base interactions energy: -1437.395
where: short stacking energy: -632.084
Base-Backbone interact. energy: 0.451
local terms energy: -728.943351
where:
bonds (distance) C4'-P energy: -144.490
bonds (distance) P-C4' energy: -135.448
flat angles C4'-P-C4' energy: -156.674
flat angles P-C4'-P energy: -121.241
tors. eta vs tors. theta energy: -171.090
Dist. restrs. and SS energy: 3.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1973.952386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.952386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.266968 (E_RNA)
where:
Base-Base interactions energy: -1332.492
where: short stacking energy: -523.860
Base-Backbone interact. energy: -2.308
local terms energy: -647.466846
where:
bonds (distance) C4'-P energy: -122.988
bonds (distance) P-C4' energy: -142.517
flat angles C4'-P-C4' energy: -129.230
flat angles P-C4'-P energy: -99.596
tors. eta vs tors. theta energy: -153.135
Dist. restrs. and SS energy: 8.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1954.576849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.576849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.674428 (E_RNA)
where:
Base-Base interactions energy: -1324.867
where: short stacking energy: -572.374
Base-Backbone interact. energy: 6.499
local terms energy: -640.307184
where:
bonds (distance) C4'-P energy: -137.516
bonds (distance) P-C4' energy: -124.584
flat angles C4'-P-C4' energy: -132.298
flat angles P-C4'-P energy: -95.628
tors. eta vs tors. theta energy: -150.281
Dist. restrs. and SS energy: 4.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1949.644422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.644422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.926281 (E_RNA)
where:
Base-Base interactions energy: -1345.660
where: short stacking energy: -558.026
Base-Backbone interact. energy: 5.651
local terms energy: -610.917453
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -135.654
flat angles C4'-P-C4' energy: -149.882
flat angles P-C4'-P energy: -76.856
tors. eta vs tors. theta energy: -136.682
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: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1858.173746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.173746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.824839 (E_RNA)
where:
Base-Base interactions energy: -1261.371
where: short stacking energy: -515.507
Base-Backbone interact. energy: -2.060
local terms energy: -600.393975
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -133.203
flat angles C4'-P-C4' energy: -140.012
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -119.517
Dist. restrs. and SS energy: 5.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2700.815095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.815095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.661927 (E_RNA)
where:
Base-Base interactions energy: -1838.934
where: short stacking energy: -812.594
Base-Backbone interact. energy: -1.607
local terms energy: -862.121788
where:
bonds (distance) C4'-P energy: -158.227
bonds (distance) P-C4' energy: -172.802
flat angles C4'-P-C4' energy: -186.923
flat angles P-C4'-P energy: -120.963
tors. eta vs tors. theta energy: -223.208
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2486.578795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.578795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.437734 (E_RNA)
where:
Base-Base interactions energy: -1683.421
where: short stacking energy: -719.710
Base-Backbone interact. energy: 3.209
local terms energy: -811.226093
where:
bonds (distance) C4'-P energy: -159.633
bonds (distance) P-C4' energy: -163.826
flat angles C4'-P-C4' energy: -161.672
flat angles P-C4'-P energy: -113.473
tors. eta vs tors. theta energy: -212.623
Dist. restrs. and SS energy: 4.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2460.418413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.418413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.846524 (E_RNA)
where:
Base-Base interactions energy: -1650.709
where: short stacking energy: -726.929
Base-Backbone interact. energy: 0.297
local terms energy: -811.434690
where:
bonds (distance) C4'-P energy: -150.339
bonds (distance) P-C4' energy: -163.733
flat angles C4'-P-C4' energy: -182.790
flat angles P-C4'-P energy: -117.494
tors. eta vs tors. theta energy: -197.079
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2349.738005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.738005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.882512 (E_RNA)
where:
Base-Base interactions energy: -1603.824
where: short stacking energy: -707.113
Base-Backbone interact. energy: -1.922
local terms energy: -746.136249
where:
bonds (distance) C4'-P energy: -135.460
bonds (distance) P-C4' energy: -141.815
flat angles C4'-P-C4' energy: -169.288
flat angles P-C4'-P energy: -113.300
tors. eta vs tors. theta energy: -186.274
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2276.363646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.363646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.797590 (E_RNA)
where:
Base-Base interactions energy: -1554.922
where: short stacking energy: -655.701
Base-Backbone interact. energy: -0.951
local terms energy: -723.924234
where:
bonds (distance) C4'-P energy: -130.879
bonds (distance) P-C4' energy: -141.403
flat angles C4'-P-C4' energy: -161.825
flat angles P-C4'-P energy: -110.351
tors. eta vs tors. theta energy: -179.466
Dist. restrs. and SS energy: 3.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2147.064413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.064413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.831300 (E_RNA)
where:
Base-Base interactions energy: -1430.178
where: short stacking energy: -625.656
Base-Backbone interact. energy: -1.887
local terms energy: -717.766721
where:
bonds (distance) C4'-P energy: -132.410
bonds (distance) P-C4' energy: -149.365
flat angles C4'-P-C4' energy: -166.486
flat angles P-C4'-P energy: -92.282
tors. eta vs tors. theta energy: -177.223
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: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2038.391838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.391838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.715883 (E_RNA)
where:
Base-Base interactions energy: -1403.803
where: short stacking energy: -619.961
Base-Backbone interact. energy: -0.024
local terms energy: -641.888872
where:
bonds (distance) C4'-P energy: -131.109
bonds (distance) P-C4' energy: -132.993
flat angles C4'-P-C4' energy: -128.162
flat angles P-C4'-P energy: -84.361
tors. eta vs tors. theta energy: -165.265
Dist. restrs. and SS energy: 7.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1926.323587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.323587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.822293 (E_RNA)
where:
Base-Base interactions energy: -1344.316
where: short stacking energy: -601.153
Base-Backbone interact. energy: 1.310
local terms energy: -592.816079
where:
bonds (distance) C4'-P energy: -104.057
bonds (distance) P-C4' energy: -118.070
flat angles C4'-P-C4' energy: -128.394
flat angles P-C4'-P energy: -74.283
tors. eta vs tors. theta energy: -168.012
Dist. restrs. and SS energy: 9.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1919.574596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.574596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.643305 (E_RNA)
where:
Base-Base interactions energy: -1301.032
where: short stacking energy: -517.139
Base-Backbone interact. energy: 3.589
local terms energy: -625.199758
where:
bonds (distance) C4'-P energy: -126.175
bonds (distance) P-C4' energy: -147.377
flat angles C4'-P-C4' energy: -120.836
flat angles P-C4'-P energy: -95.839
tors. eta vs tors. theta energy: -134.972
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: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1819.805861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.805861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.946801 (E_RNA)
where:
Base-Base interactions energy: -1201.307
where: short stacking energy: -500.124
Base-Backbone interact. energy: 8.537
local terms energy: -634.177438
where:
bonds (distance) C4'-P energy: -134.927
bonds (distance) P-C4' energy: -117.921
flat angles C4'-P-C4' energy: -154.173
flat angles P-C4'-P energy: -95.445
tors. eta vs tors. theta energy: -131.711
Dist. restrs. and SS energy: 7.141 (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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2700.120322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.120322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.213831 (E_RNA)
where:
Base-Base interactions energy: -1818.978
where: short stacking energy: -782.379
Base-Backbone interact. energy: -1.558
local terms energy: -880.677933
where:
bonds (distance) C4'-P energy: -166.629
bonds (distance) P-C4' energy: -151.474
flat angles C4'-P-C4' energy: -193.660
flat angles P-C4'-P energy: -143.718
tors. eta vs tors. theta energy: -225.197
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2496.457982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.457982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.809077 (E_RNA)
where:
Base-Base interactions energy: -1662.888
where: short stacking energy: -737.284
Base-Backbone interact. energy: 0.876
local terms energy: -839.797005
where:
bonds (distance) C4'-P energy: -162.638
bonds (distance) P-C4' energy: -173.028
flat angles C4'-P-C4' energy: -175.630
flat angles P-C4'-P energy: -117.665
tors. eta vs tors. theta energy: -210.837
Dist. restrs. and SS energy: 5.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2416.548885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.548885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.441493 (E_RNA)
where:
Base-Base interactions energy: -1621.205
where: short stacking energy: -704.863
Base-Backbone interact. energy: -4.683
local terms energy: -792.553903
where:
bonds (distance) C4'-P energy: -147.427
bonds (distance) P-C4' energy: -160.294
flat angles C4'-P-C4' energy: -171.454
flat angles P-C4'-P energy: -115.191
tors. eta vs tors. theta energy: -198.187
Dist. restrs. and SS energy: 1.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2344.526843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.526843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.600356 (E_RNA)
where:
Base-Base interactions energy: -1560.957
where: short stacking energy: -695.213
Base-Backbone interact. energy: -2.886
local terms energy: -782.757465
where:
bonds (distance) C4'-P energy: -168.038
bonds (distance) P-C4' energy: -153.413
flat angles C4'-P-C4' energy: -165.011
flat angles P-C4'-P energy: -110.520
tors. eta vs tors. theta energy: -185.776
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: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2256.127936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.127936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.321730 (E_RNA)
where:
Base-Base interactions energy: -1527.570
where: short stacking energy: -646.960
Base-Backbone interact. energy: -3.003
local terms energy: -730.748315
where:
bonds (distance) C4'-P energy: -146.017
bonds (distance) P-C4' energy: -142.502
flat angles C4'-P-C4' energy: -159.967
flat angles P-C4'-P energy: -106.192
tors. eta vs tors. theta energy: -176.071
Dist. restrs. and SS energy: 5.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2164.513446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.513446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.277809 (E_RNA)
where:
Base-Base interactions energy: -1453.838
where: short stacking energy: -628.290
Base-Backbone interact. energy: 1.755
local terms energy: -715.195299
where:
bonds (distance) C4'-P energy: -155.736
bonds (distance) P-C4' energy: -133.909
flat angles C4'-P-C4' energy: -169.608
flat angles P-C4'-P energy: -93.676
tors. eta vs tors. theta energy: -162.266
Dist. restrs. and SS energy: 2.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2100.817984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.817984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.045389 (E_RNA)
where:
Base-Base interactions energy: -1416.863
where: short stacking energy: -608.809
Base-Backbone interact. energy: 8.801
local terms energy: -696.984182
where:
bonds (distance) C4'-P energy: -130.304
bonds (distance) P-C4' energy: -144.179
flat angles C4'-P-C4' energy: -165.457
flat angles P-C4'-P energy: -98.751
tors. eta vs tors. theta energy: -158.293
Dist. restrs. and SS energy: 4.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1978.151805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.151805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.894996 (E_RNA)
where:
Base-Base interactions energy: -1349.012
where: short stacking energy: -571.947
Base-Backbone interact. energy: -0.214
local terms energy: -631.669103
where:
bonds (distance) C4'-P energy: -141.243
bonds (distance) P-C4' energy: -140.128
flat angles C4'-P-C4' energy: -143.923
flat angles P-C4'-P energy: -73.313
tors. eta vs tors. theta energy: -133.062
Dist. restrs. and SS energy: 2.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1799.686640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.686640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.146538 (E_RNA)
where:
Base-Base interactions energy: -1215.758
where: short stacking energy: -535.280
Base-Backbone interact. energy: 6.487
local terms energy: -603.875076
where:
bonds (distance) C4'-P energy: -128.223
bonds (distance) P-C4' energy: -141.139
flat angles C4'-P-C4' energy: -126.870
flat angles P-C4'-P energy: -96.821
tors. eta vs tors. theta energy: -110.822
Dist. restrs. and SS energy: 13.460 (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: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1841.273439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.273439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.322363 (E_RNA)
where:
Base-Base interactions energy: -1262.448
where: short stacking energy: -531.196
Base-Backbone interact. energy: 0.754
local terms energy: -591.627518
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -130.140
flat angles C4'-P-C4' energy: -139.399
flat angles P-C4'-P energy: -88.250
tors. eta vs tors. theta energy: -127.204
Dist. restrs. and SS energy: 12.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2681.054671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.565621 (E_RNA)
where:
Base-Base interactions energy: -1834.743
where: short stacking energy: -813.780
Base-Backbone interact. energy: -5.028
local terms energy: -842.794618
where:
bonds (distance) C4'-P energy: -146.723
bonds (distance) P-C4' energy: -165.005
flat angles C4'-P-C4' energy: -190.705
flat angles P-C4'-P energy: -129.295
tors. eta vs tors. theta energy: -211.067
Dist. restrs. and SS energy: 1.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2502.576075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.576075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.211468 (E_RNA)
where:
Base-Base interactions energy: -1681.310
where: short stacking energy: -724.949
Base-Backbone interact. energy: 0.850
local terms energy: -827.752095
where:
bonds (distance) C4'-P energy: -149.089
bonds (distance) P-C4' energy: -157.459
flat angles C4'-P-C4' energy: -191.090
flat angles P-C4'-P energy: -117.445
tors. eta vs tors. theta energy: -212.669
Dist. restrs. and SS energy: 5.635 (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: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2450.663885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.936087 (E_RNA)
where:
Base-Base interactions energy: -1633.457
where: short stacking energy: -720.568
Base-Backbone interact. energy: -1.009
local terms energy: -817.470416
where:
bonds (distance) C4'-P energy: -165.537
bonds (distance) P-C4' energy: -159.287
flat angles C4'-P-C4' energy: -177.482
flat angles P-C4'-P energy: -108.687
tors. eta vs tors. theta energy: -206.478
Dist. restrs. and SS energy: 1.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2295.033524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.033524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.230524 (E_RNA)
where:
Base-Base interactions energy: -1545.440
where: short stacking energy: -662.660
Base-Backbone interact. energy: -4.130
local terms energy: -746.659828
where:
bonds (distance) C4'-P energy: -157.695
bonds (distance) P-C4' energy: -154.788
flat angles C4'-P-C4' energy: -157.431
flat angles P-C4'-P energy: -115.053
tors. eta vs tors. theta energy: -161.692
Dist. restrs. and SS energy: 1.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2268.788092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.788092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.038017 (E_RNA)
where:
Base-Base interactions energy: -1530.300
where: short stacking energy: -635.917
Base-Backbone interact. energy: 6.507
local terms energy: -747.244667
where:
bonds (distance) C4'-P energy: -148.979
bonds (distance) P-C4' energy: -142.440
flat angles C4'-P-C4' energy: -159.929
flat angles P-C4'-P energy: -120.315
tors. eta vs tors. theta energy: -175.582
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: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2191.785523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.785523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.229324 (E_RNA)
where:
Base-Base interactions energy: -1479.305
where: short stacking energy: -640.547
Base-Backbone interact. energy: 0.306
local terms energy: -715.230996
where:
bonds (distance) C4'-P energy: -127.316
bonds (distance) P-C4' energy: -156.643
flat angles C4'-P-C4' energy: -163.948
flat angles P-C4'-P energy: -94.800
tors. eta vs tors. theta energy: -172.525
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2085.750201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.750201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.316118 (E_RNA)
where:
Base-Base interactions energy: -1424.126
where: short stacking energy: -611.918
Base-Backbone interact. energy: 5.740
local terms energy: -669.929875
where:
bonds (distance) C4'-P energy: -124.385
bonds (distance) P-C4' energy: -113.795
flat angles C4'-P-C4' energy: -160.391
flat angles P-C4'-P energy: -98.869
tors. eta vs tors. theta energy: -172.490
Dist. restrs. and SS energy: 2.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -2012.884715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.884715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.452439 (E_RNA)
where:
Base-Base interactions energy: -1354.159
where: short stacking energy: -565.936
Base-Backbone interact. energy: -0.641
local terms energy: -660.652024
where:
bonds (distance) C4'-P energy: -145.705
bonds (distance) P-C4' energy: -143.047
flat angles C4'-P-C4' energy: -141.624
flat angles P-C4'-P energy: -89.034
tors. eta vs tors. theta energy: -141.243
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: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1856.546566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.546566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.229891 (E_RNA)
where:
Base-Base interactions energy: -1257.731
where: short stacking energy: -527.811
Base-Backbone interact. energy: -2.586
local terms energy: -599.912727
where:
bonds (distance) C4'-P energy: -129.360
bonds (distance) P-C4' energy: -121.928
flat angles C4'-P-C4' energy: -151.071
flat angles P-C4'-P energy: -67.186
tors. eta vs tors. theta energy: -130.368
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1718.777407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.777407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.576206 (E_RNA)
where:
Base-Base interactions energy: -1178.883
where: short stacking energy: -500.679
Base-Backbone interact. energy: 6.994
local terms energy: -561.686705
where:
bonds (distance) C4'-P energy: -119.077
bonds (distance) P-C4' energy: -117.759
flat angles C4'-P-C4' energy: -131.346
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -122.963
Dist. restrs. and SS energy: 14.799 (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: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2670.168467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.168467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.259389 (E_RNA)
where:
Base-Base interactions energy: -1852.710
where: short stacking energy: -825.506
Base-Backbone interact. energy: 1.969
local terms energy: -820.517848
where:
bonds (distance) C4'-P energy: -147.716
bonds (distance) P-C4' energy: -141.401
flat angles C4'-P-C4' energy: -188.712
flat angles P-C4'-P energy: -123.547
tors. eta vs tors. theta energy: -219.142
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2548.550852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.550852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.833716 (E_RNA)
where:
Base-Base interactions energy: -1716.748
where: short stacking energy: -753.986
Base-Backbone interact. energy: -5.027
local terms energy: -831.059618
where:
bonds (distance) C4'-P energy: -165.250
bonds (distance) P-C4' energy: -161.089
flat angles C4'-P-C4' energy: -182.589
flat angles P-C4'-P energy: -111.608
tors. eta vs tors. theta energy: -210.524
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2422.092273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.092273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.827569 (E_RNA)
where:
Base-Base interactions energy: -1619.880
where: short stacking energy: -756.642
Base-Backbone interact. energy: -1.018
local terms energy: -803.929691
where:
bonds (distance) C4'-P energy: -162.039
bonds (distance) P-C4' energy: -148.750
flat angles C4'-P-C4' energy: -175.751
flat angles P-C4'-P energy: -104.219
tors. eta vs tors. theta energy: -213.171
Dist. restrs. and SS energy: 2.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2320.236202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.236202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.561018 (E_RNA)
where:
Base-Base interactions energy: -1563.747
where: short stacking energy: -679.166
Base-Backbone interact. energy: 0.654
local terms energy: -759.468065
where:
bonds (distance) C4'-P energy: -151.784
bonds (distance) P-C4' energy: -145.922
flat angles C4'-P-C4' energy: -165.707
flat angles P-C4'-P energy: -103.405
tors. eta vs tors. theta energy: -192.650
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: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2280.133223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.133223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.697052 (E_RNA)
where:
Base-Base interactions energy: -1541.821
where: short stacking energy: -662.624
Base-Backbone interact. energy: 2.602
local terms energy: -742.477391
where:
bonds (distance) C4'-P energy: -132.090
bonds (distance) P-C4' energy: -155.539
flat angles C4'-P-C4' energy: -164.827
flat angles P-C4'-P energy: -102.082
tors. eta vs tors. theta energy: -187.938
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: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2209.662190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.662190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.608477 (E_RNA)
where:
Base-Base interactions energy: -1489.430
where: short stacking energy: -649.486
Base-Backbone interact. energy: 3.023
local terms energy: -725.201629
where:
bonds (distance) C4'-P energy: -133.830
bonds (distance) P-C4' energy: -138.048
flat angles C4'-P-C4' energy: -153.924
flat angles P-C4'-P energy: -115.775
tors. eta vs tors. theta energy: -183.625
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2084.976098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.976098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.107949 (E_RNA)
where:
Base-Base interactions energy: -1419.110
where: short stacking energy: -583.580
Base-Backbone interact. energy: 4.237
local terms energy: -671.234727
where:
bonds (distance) C4'-P energy: -120.340
bonds (distance) P-C4' energy: -127.293
flat angles C4'-P-C4' energy: -149.160
flat angles P-C4'-P energy: -126.764
tors. eta vs tors. theta energy: -147.678
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -2024.207364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.207364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.962289 (E_RNA)
where:
Base-Base interactions energy: -1403.834
where: short stacking energy: -586.447
Base-Backbone interact. energy: 6.775
local terms energy: -628.903316
where:
bonds (distance) C4'-P energy: -103.010
bonds (distance) P-C4' energy: -131.730
flat angles C4'-P-C4' energy: -154.508
flat angles P-C4'-P energy: -90.715
tors. eta vs tors. theta energy: -148.940
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1832.030508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.030508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.207255 (E_RNA)
where:
Base-Base interactions energy: -1265.122
where: short stacking energy: -510.460
Base-Backbone interact. energy: 2.302
local terms energy: -576.386773
where:
bonds (distance) C4'-P energy: -120.051
bonds (distance) P-C4' energy: -117.369
flat angles C4'-P-C4' energy: -135.998
flat angles P-C4'-P energy: -82.642
tors. eta vs tors. theta energy: -120.327
Dist. restrs. and SS energy: 7.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1776.120420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.120420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.825051 (E_RNA)
where:
Base-Base interactions energy: -1189.897
where: short stacking energy: -488.841
Base-Backbone interact. energy: 2.289
local terms energy: -601.216982
where:
bonds (distance) C4'-P energy: -115.295
bonds (distance) P-C4' energy: -142.237
flat angles C4'-P-C4' energy: -133.305
flat angles P-C4'-P energy: -82.860
tors. eta vs tors. theta energy: -127.520
Dist. restrs. and SS energy: 12.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2759.967141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.967141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.365334 (E_RNA)
where:
Base-Base interactions energy: -1880.759
where: short stacking energy: -817.095
Base-Backbone interact. energy: -3.480
local terms energy: -877.126564
where:
bonds (distance) C4'-P energy: -157.073
bonds (distance) P-C4' energy: -171.695
flat angles C4'-P-C4' energy: -177.595
flat angles P-C4'-P energy: -130.200
tors. eta vs tors. theta energy: -240.563
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2534.740732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.740732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.121550 (E_RNA)
where:
Base-Base interactions energy: -1690.411
where: short stacking energy: -774.612
Base-Backbone interact. energy: -3.127
local terms energy: -845.583613
where:
bonds (distance) C4'-P energy: -156.606
bonds (distance) P-C4' energy: -158.529
flat angles C4'-P-C4' energy: -180.834
flat angles P-C4'-P energy: -112.948
tors. eta vs tors. theta energy: -236.667
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: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2420.686597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.686597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.704037 (E_RNA)
where:
Base-Base interactions energy: -1615.298
where: short stacking energy: -681.976
Base-Backbone interact. energy: -2.369
local terms energy: -805.036813
where:
bonds (distance) C4'-P energy: -161.358
bonds (distance) P-C4' energy: -160.821
flat angles C4'-P-C4' energy: -179.393
flat angles P-C4'-P energy: -109.801
tors. eta vs tors. theta energy: -193.664
Dist. restrs. and SS energy: 2.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2347.072383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.072383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.136668 (E_RNA)
where:
Base-Base interactions energy: -1586.767
where: short stacking energy: -724.329
Base-Backbone interact. energy: -0.217
local terms energy: -763.152903
where:
bonds (distance) C4'-P energy: -145.098
bonds (distance) P-C4' energy: -137.113
flat angles C4'-P-C4' energy: -164.354
flat angles P-C4'-P energy: -110.734
tors. eta vs tors. theta energy: -205.854
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: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2297.111770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.111770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.430584 (E_RNA)
where:
Base-Base interactions energy: -1562.158
where: short stacking energy: -668.825
Base-Backbone interact. energy: -0.668
local terms energy: -736.605202
where:
bonds (distance) C4'-P energy: -142.162
bonds (distance) P-C4' energy: -135.218
flat angles C4'-P-C4' energy: -170.471
flat angles P-C4'-P energy: -100.585
tors. eta vs tors. theta energy: -188.170
Dist. restrs. and SS energy: 2.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2199.825786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.825786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.875365 (E_RNA)
where:
Base-Base interactions energy: -1478.025
where: short stacking energy: -620.832
Base-Backbone interact. energy: 1.637
local terms energy: -725.487156
where:
bonds (distance) C4'-P energy: -147.713
bonds (distance) P-C4' energy: -146.695
flat angles C4'-P-C4' energy: -161.305
flat angles P-C4'-P energy: -105.583
tors. eta vs tors. theta energy: -164.192
Dist. restrs. and SS energy: 2.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2127.068225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.068225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.800330 (E_RNA)
where:
Base-Base interactions energy: -1399.514
where: short stacking energy: -616.101
Base-Backbone interact. energy: -1.054
local terms energy: -729.232830
where:
bonds (distance) C4'-P energy: -157.748
bonds (distance) P-C4' energy: -141.675
flat angles C4'-P-C4' energy: -158.073
flat angles P-C4'-P energy: -101.707
tors. eta vs tors. theta energy: -170.029
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: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -2052.552566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.552566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.095678 (E_RNA)
where:
Base-Base interactions energy: -1408.032
where: short stacking energy: -596.752
Base-Backbone interact. energy: 7.209
local terms energy: -653.272700
where:
bonds (distance) C4'-P energy: -131.841
bonds (distance) P-C4' energy: -131.175
flat angles C4'-P-C4' energy: -147.770
flat angles P-C4'-P energy: -96.845
tors. eta vs tors. theta energy: -145.642
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1808.109846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.109846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.614231 (E_RNA)
where:
Base-Base interactions energy: -1239.455
where: short stacking energy: -523.699
Base-Backbone interact. energy: -2.439
local terms energy: -575.720589
where:
bonds (distance) C4'-P energy: -117.845
bonds (distance) P-C4' energy: -116.834
flat angles C4'-P-C4' energy: -144.661
flat angles P-C4'-P energy: -67.862
tors. eta vs tors. theta energy: -128.519
Dist. restrs. and SS energy: 9.504 (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: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1730.471922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.471922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.128990 (E_RNA)
where:
Base-Base interactions energy: -1165.691
where: short stacking energy: -505.902
Base-Backbone interact. energy: 0.588
local terms energy: -574.026357
where:
bonds (distance) C4'-P energy: -124.121
bonds (distance) P-C4' energy: -127.636
flat angles C4'-P-C4' energy: -129.709
flat angles P-C4'-P energy: -63.446
tors. eta vs tors. theta energy: -129.114
Dist. restrs. and SS energy: 8.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2693.638476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.638476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.734111 (E_RNA)
where:
Base-Base interactions energy: -1832.619
where: short stacking energy: -803.104
Base-Backbone interact. energy: -5.374
local terms energy: -856.741368
where:
bonds (distance) C4'-P energy: -166.394
bonds (distance) P-C4' energy: -151.612
flat angles C4'-P-C4' energy: -188.802
flat angles P-C4'-P energy: -119.624
tors. eta vs tors. theta energy: -230.310
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2513.966848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.966848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.747095 (E_RNA)
where:
Base-Base interactions energy: -1681.264
where: short stacking energy: -787.593
Base-Backbone interact. energy: 1.211
local terms energy: -838.694070
where:
bonds (distance) C4'-P energy: -158.227
bonds (distance) P-C4' energy: -159.076
flat angles C4'-P-C4' energy: -160.661
flat angles P-C4'-P energy: -125.992
tors. eta vs tors. theta energy: -234.739
Dist. restrs. and SS energy: 4.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2457.449317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.449317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.254451 (E_RNA)
where:
Base-Base interactions energy: -1669.209
where: short stacking energy: -710.985
Base-Backbone interact. energy: -2.800
local terms energy: -787.245454
where:
bonds (distance) C4'-P energy: -153.284
bonds (distance) P-C4' energy: -161.359
flat angles C4'-P-C4' energy: -164.061
flat angles P-C4'-P energy: -103.868
tors. eta vs tors. theta energy: -204.674
Dist. restrs. and SS energy: 1.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2358.376148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.376148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.683251 (E_RNA)
where:
Base-Base interactions energy: -1594.139
where: short stacking energy: -691.499
Base-Backbone interact. energy: -2.877
local terms energy: -763.667294
where:
bonds (distance) C4'-P energy: -135.034
bonds (distance) P-C4' energy: -146.611
flat angles C4'-P-C4' energy: -175.961
flat angles P-C4'-P energy: -101.366
tors. eta vs tors. theta energy: -204.695
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: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2291.114835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.114835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.170081 (E_RNA)
where:
Base-Base interactions energy: -1537.174
where: short stacking energy: -655.497
Base-Backbone interact. energy: -0.308
local terms energy: -755.687634
where:
bonds (distance) C4'-P energy: -142.816
bonds (distance) P-C4' energy: -145.358
flat angles C4'-P-C4' energy: -158.569
flat angles P-C4'-P energy: -107.704
tors. eta vs tors. theta energy: -201.240
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: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2260.737941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.737941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.924840 (E_RNA)
where:
Base-Base interactions energy: -1514.960
where: short stacking energy: -661.850
Base-Backbone interact. energy: -1.860
local terms energy: -745.104869
where:
bonds (distance) C4'-P energy: -146.896
bonds (distance) P-C4' energy: -132.514
flat angles C4'-P-C4' energy: -163.678
flat angles P-C4'-P energy: -108.268
tors. eta vs tors. theta energy: -193.747
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: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2119.385787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.385787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.098962 (E_RNA)
where:
Base-Base interactions energy: -1429.401
where: short stacking energy: -635.633
Base-Backbone interact. energy: -2.359
local terms energy: -690.339240
where:
bonds (distance) C4'-P energy: -119.642
bonds (distance) P-C4' energy: -145.261
flat angles C4'-P-C4' energy: -153.552
flat angles P-C4'-P energy: -96.656
tors. eta vs tors. theta energy: -175.228
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -2020.664836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.664836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.658480 (E_RNA)
where:
Base-Base interactions energy: -1381.655
where: short stacking energy: -597.736
Base-Backbone interact. energy: -1.753
local terms energy: -639.250485
where:
bonds (distance) C4'-P energy: -125.986
bonds (distance) P-C4' energy: -119.647
flat angles C4'-P-C4' energy: -155.780
flat angles P-C4'-P energy: -76.405
tors. eta vs tors. theta energy: -161.433
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1869.881158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.881158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.008657 (E_RNA)
where:
Base-Base interactions energy: -1278.328
where: short stacking energy: -540.260
Base-Backbone interact. energy: 3.613
local terms energy: -610.294149
where:
bonds (distance) C4'-P energy: -137.409
bonds (distance) P-C4' energy: -128.361
flat angles C4'-P-C4' energy: -123.474
flat angles P-C4'-P energy: -90.209
tors. eta vs tors. theta energy: -130.842
Dist. restrs. and SS energy: 15.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1806.921152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.921152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.650564 (E_RNA)
where:
Base-Base interactions energy: -1233.329
where: short stacking energy: -516.230
Base-Backbone interact. energy: 2.912
local terms energy: -593.234226
where:
bonds (distance) C4'-P energy: -109.818
bonds (distance) P-C4' energy: -103.796
flat angles C4'-P-C4' energy: -144.726
flat angles P-C4'-P energy: -101.250
tors. eta vs tors. theta energy: -133.643
Dist. restrs. and SS energy: 16.729 (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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2711.680291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.680291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.282035 (E_RNA)
where:
Base-Base interactions energy: -1853.778
where: short stacking energy: -803.154
Base-Backbone interact. energy: -5.051
local terms energy: -854.452907
where:
bonds (distance) C4'-P energy: -158.676
bonds (distance) P-C4' energy: -158.318
flat angles C4'-P-C4' energy: -193.064
flat angles P-C4'-P energy: -125.520
tors. eta vs tors. theta energy: -218.876
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2562.958998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.958998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.421083 (E_RNA)
where:
Base-Base interactions energy: -1700.299
where: short stacking energy: -771.446
Base-Backbone interact. energy: -1.029
local terms energy: -868.092568
where:
bonds (distance) C4'-P energy: -171.983
bonds (distance) P-C4' energy: -161.755
flat angles C4'-P-C4' energy: -186.938
flat angles P-C4'-P energy: -128.963
tors. eta vs tors. theta energy: -218.454
Dist. restrs. and SS energy: 6.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2426.156987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.156987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.128710 (E_RNA)
where:
Base-Base interactions energy: -1619.249
where: short stacking energy: -756.978
Base-Backbone interact. energy: -2.051
local terms energy: -806.829258
where:
bonds (distance) C4'-P energy: -151.334
bonds (distance) P-C4' energy: -155.987
flat angles C4'-P-C4' energy: -175.810
flat angles P-C4'-P energy: -115.369
tors. eta vs tors. theta energy: -208.329
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: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2415.738509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.738509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.306221 (E_RNA)
where:
Base-Base interactions energy: -1617.260
where: short stacking energy: -700.065
Base-Backbone interact. energy: 8.258
local terms energy: -808.303902
where:
bonds (distance) C4'-P energy: -166.114
bonds (distance) P-C4' energy: -163.409
flat angles C4'-P-C4' energy: -161.470
flat angles P-C4'-P energy: -127.822
tors. eta vs tors. theta energy: -189.488
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2262.900778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.900778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.784561 (E_RNA)
where:
Base-Base interactions energy: -1533.316
where: short stacking energy: -693.909
Base-Backbone interact. energy: -3.271
local terms energy: -730.197966
where:
bonds (distance) C4'-P energy: -138.010
bonds (distance) P-C4' energy: -131.057
flat angles C4'-P-C4' energy: -167.577
flat angles P-C4'-P energy: -109.139
tors. eta vs tors. theta energy: -184.416
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: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2223.994169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.994169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.176327 (E_RNA)
where:
Base-Base interactions energy: -1487.603
where: short stacking energy: -642.063
Base-Backbone interact. energy: 0.874
local terms energy: -740.447602
where:
bonds (distance) C4'-P energy: -137.516
bonds (distance) P-C4' energy: -156.580
flat angles C4'-P-C4' energy: -157.978
flat angles P-C4'-P energy: -98.044
tors. eta vs tors. theta energy: -190.330
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: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2155.228018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.228018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.091231 (E_RNA)
where:
Base-Base interactions energy: -1469.892
where: short stacking energy: -646.740
Base-Backbone interact. energy: -2.882
local terms energy: -684.317039
where:
bonds (distance) C4'-P energy: -114.185
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -146.220
flat angles P-C4'-P energy: -106.750
tors. eta vs tors. theta energy: -182.459
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: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2071.315630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.315630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.323255 (E_RNA)
where:
Base-Base interactions energy: -1398.622
where: short stacking energy: -600.290
Base-Backbone interact. energy: 3.548
local terms energy: -678.248480
where:
bonds (distance) C4'-P energy: -142.389
bonds (distance) P-C4' energy: -138.690
flat angles C4'-P-C4' energy: -130.391
flat angles P-C4'-P energy: -102.453
tors. eta vs tors. theta energy: -164.325
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1872.548138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.548138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.691946 (E_RNA)
where:
Base-Base interactions energy: -1265.986
where: short stacking energy: -549.021
Base-Backbone interact. energy: -4.013
local terms energy: -611.693177
where:
bonds (distance) C4'-P energy: -128.769
bonds (distance) P-C4' energy: -133.844
flat angles C4'-P-C4' energy: -142.803
flat angles P-C4'-P energy: -63.626
tors. eta vs tors. theta energy: -142.651
Dist. restrs. and SS energy: 9.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1779.307038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.307038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.183375 (E_RNA)
where:
Base-Base interactions energy: -1223.543
where: short stacking energy: -496.919
Base-Backbone interact. energy: 1.295
local terms energy: -563.935026
where:
bonds (distance) C4'-P energy: -105.471
bonds (distance) P-C4' energy: -137.800
flat angles C4'-P-C4' energy: -113.818
flat angles P-C4'-P energy: -83.508
tors. eta vs tors. theta energy: -123.338
Dist. restrs. and SS energy: 6.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2666.684455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.684455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.634102 (E_RNA)
where:
Base-Base interactions energy: -1835.944
where: short stacking energy: -770.095
Base-Backbone interact. energy: -1.540
local terms energy: -830.150281
where:
bonds (distance) C4'-P energy: -150.395
bonds (distance) P-C4' energy: -170.826
flat angles C4'-P-C4' energy: -170.450
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -218.400
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2514.772901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.772901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.671825 (E_RNA)
where:
Base-Base interactions energy: -1678.579
where: short stacking energy: -750.079
Base-Backbone interact. energy: -3.049
local terms energy: -838.044024
where:
bonds (distance) C4'-P energy: -164.723
bonds (distance) P-C4' energy: -157.775
flat angles C4'-P-C4' energy: -173.544
flat angles P-C4'-P energy: -121.394
tors. eta vs tors. theta energy: -220.607
Dist. restrs. and SS energy: 4.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2442.265014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.265014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.483955 (E_RNA)
where:
Base-Base interactions energy: -1619.117
where: short stacking energy: -700.219
Base-Backbone interact. energy: -2.085
local terms energy: -822.281486
where:
bonds (distance) C4'-P energy: -139.377
bonds (distance) P-C4' energy: -166.763
flat angles C4'-P-C4' energy: -181.044
flat angles P-C4'-P energy: -121.830
tors. eta vs tors. theta energy: -213.267
Dist. restrs. and SS energy: 1.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2372.427653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.427653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.287807 (E_RNA)
where:
Base-Base interactions energy: -1607.623
where: short stacking energy: -702.500
Base-Backbone interact. energy: 1.801
local terms energy: -767.466166
where:
bonds (distance) C4'-P energy: -140.363
bonds (distance) P-C4' energy: -161.189
flat angles C4'-P-C4' energy: -163.991
flat angles P-C4'-P energy: -107.118
tors. eta vs tors. theta energy: -194.805
Dist. restrs. and SS energy: 0.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2270.572193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.572193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.064382 (E_RNA)
where:
Base-Base interactions energy: -1541.189
where: short stacking energy: -672.067
Base-Backbone interact. energy: 4.732
local terms energy: -736.607187
where:
bonds (distance) C4'-P energy: -136.568
bonds (distance) P-C4' energy: -154.824
flat angles C4'-P-C4' energy: -151.495
flat angles P-C4'-P energy: -112.208
tors. eta vs tors. theta energy: -181.512
Dist. restrs. and SS energy: 2.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2206.532987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.532987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.081791 (E_RNA)
where:
Base-Base interactions energy: -1494.101
where: short stacking energy: -626.127
Base-Backbone interact. energy: 0.938
local terms energy: -715.918569
where:
bonds (distance) C4'-P energy: -138.826
bonds (distance) P-C4' energy: -144.865
flat angles C4'-P-C4' energy: -165.726
flat angles P-C4'-P energy: -90.584
tors. eta vs tors. theta energy: -175.918
Dist. restrs. and SS energy: 2.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2128.480090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.480090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.420198 (E_RNA)
where:
Base-Base interactions energy: -1447.394
where: short stacking energy: -631.783
Base-Backbone interact. energy: -1.878
local terms energy: -682.148088
where:
bonds (distance) C4'-P energy: -121.159
bonds (distance) P-C4' energy: -141.983
flat angles C4'-P-C4' energy: -151.057
flat angles P-C4'-P energy: -92.590
tors. eta vs tors. theta energy: -175.358
Dist. restrs. and SS energy: 2.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2028.016541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.016541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.276813 (E_RNA)
where:
Base-Base interactions energy: -1397.954
where: short stacking energy: -587.214
Base-Backbone interact. energy: -0.997
local terms energy: -631.326102
where:
bonds (distance) C4'-P energy: -135.184
bonds (distance) P-C4' energy: -129.587
flat angles C4'-P-C4' energy: -140.438
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -150.397
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: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1851.124668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.124668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.942918 (E_RNA)
where:
Base-Base interactions energy: -1258.913
where: short stacking energy: -537.632
Base-Backbone interact. energy: -3.372
local terms energy: -602.658300
where:
bonds (distance) C4'-P energy: -109.338
bonds (distance) P-C4' energy: -155.348
flat angles C4'-P-C4' energy: -120.496
flat angles P-C4'-P energy: -81.743
tors. eta vs tors. theta energy: -135.734
Dist. restrs. and SS energy: 13.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1774.862268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.862268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.312794 (E_RNA)
where:
Base-Base interactions energy: -1183.665
where: short stacking energy: -527.505
Base-Backbone interact. energy: -0.952
local terms energy: -599.696323
where:
bonds (distance) C4'-P energy: -131.374
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -134.495
flat angles P-C4'-P energy: -75.958
tors. eta vs tors. theta energy: -133.498
Dist. restrs. and SS energy: 9.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2682.102867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.102867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.874351 (E_RNA)
where:
Base-Base interactions energy: -1827.606
where: short stacking energy: -756.363
Base-Backbone interact. energy: -7.978
local terms energy: -848.290271
where:
bonds (distance) C4'-P energy: -164.413
bonds (distance) P-C4' energy: -155.064
flat angles C4'-P-C4' energy: -185.409
flat angles P-C4'-P energy: -122.558
tors. eta vs tors. theta energy: -220.847
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2541.022246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.022246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.288646 (E_RNA)
where:
Base-Base interactions energy: -1721.870
where: short stacking energy: -755.845
Base-Backbone interact. energy: 1.699
local terms energy: -830.118026
where:
bonds (distance) C4'-P energy: -150.091
bonds (distance) P-C4' energy: -153.351
flat angles C4'-P-C4' energy: -182.371
flat angles P-C4'-P energy: -125.011
tors. eta vs tors. theta energy: -219.294
Dist. restrs. and SS energy: 9.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2459.755047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.755047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.063386 (E_RNA)
where:
Base-Base interactions energy: -1654.911
where: short stacking energy: -754.357
Base-Backbone interact. energy: -1.015
local terms energy: -805.136919
where:
bonds (distance) C4'-P energy: -141.741
bonds (distance) P-C4' energy: -162.211
flat angles C4'-P-C4' energy: -176.569
flat angles P-C4'-P energy: -125.373
tors. eta vs tors. theta energy: -199.243
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: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2385.676707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.676707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.238830 (E_RNA)
where:
Base-Base interactions energy: -1628.873
where: short stacking energy: -708.371
Base-Backbone interact. energy: 0.506
local terms energy: -758.871654
where:
bonds (distance) C4'-P energy: -162.904
bonds (distance) P-C4' energy: -137.747
flat angles C4'-P-C4' energy: -149.584
flat angles P-C4'-P energy: -126.545
tors. eta vs tors. theta energy: -182.092
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: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2250.086580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.086580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.841262 (E_RNA)
where:
Base-Base interactions energy: -1536.009
where: short stacking energy: -648.409
Base-Backbone interact. energy: 0.807
local terms energy: -716.639539
where:
bonds (distance) C4'-P energy: -125.817
bonds (distance) P-C4' energy: -134.132
flat angles C4'-P-C4' energy: -162.373
flat angles P-C4'-P energy: -94.283
tors. eta vs tors. theta energy: -200.033
Dist. restrs. and SS energy: 1.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2186.721465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.721465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.971443 (E_RNA)
where:
Base-Base interactions energy: -1468.523
where: short stacking energy: -628.051
Base-Backbone interact. energy: -0.337
local terms energy: -720.111687
where:
bonds (distance) C4'-P energy: -132.260
bonds (distance) P-C4' energy: -142.616
flat angles C4'-P-C4' energy: -167.117
flat angles P-C4'-P energy: -95.520
tors. eta vs tors. theta energy: -182.600
Dist. restrs. and SS energy: 2.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2092.798851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.798851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.774594 (E_RNA)
where:
Base-Base interactions energy: -1429.515
where: short stacking energy: -610.702
Base-Backbone interact. energy: -0.531
local terms energy: -664.728749
where:
bonds (distance) C4'-P energy: -118.860
bonds (distance) P-C4' energy: -147.160
flat angles C4'-P-C4' energy: -152.752
flat angles P-C4'-P energy: -89.484
tors. eta vs tors. theta energy: -156.473
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: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2030.215291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.215291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.637433 (E_RNA)
where:
Base-Base interactions energy: -1365.333
where: short stacking energy: -596.321
Base-Backbone interact. energy: -1.562
local terms energy: -665.741988
where:
bonds (distance) C4'-P energy: -112.313
bonds (distance) P-C4' energy: -149.600
flat angles C4'-P-C4' energy: -144.058
flat angles P-C4'-P energy: -96.177
tors. eta vs tors. theta energy: -163.594
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1890.898294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.898294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.286140 (E_RNA)
where:
Base-Base interactions energy: -1254.962
where: short stacking energy: -519.237
Base-Backbone interact. energy: 4.153
local terms energy: -644.477136
where:
bonds (distance) C4'-P energy: -136.036
bonds (distance) P-C4' energy: -119.819
flat angles C4'-P-C4' energy: -156.142
flat angles P-C4'-P energy: -87.535
tors. eta vs tors. theta energy: -144.946
Dist. restrs. and SS energy: 4.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1779.710291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.710291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.172040 (E_RNA)
where:
Base-Base interactions energy: -1185.601
where: short stacking energy: -499.222
Base-Backbone interact. energy: 0.752
local terms energy: -604.323974
where:
bonds (distance) C4'-P energy: -137.027
bonds (distance) P-C4' energy: -121.367
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -85.178
tors. eta vs tors. theta energy: -136.540
Dist. restrs. and SS energy: 9.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2629.005056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.005056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.138361 (E_RNA)
where:
Base-Base interactions energy: -1788.836
where: short stacking energy: -776.238
Base-Backbone interact. energy: 0.095
local terms energy: -841.397192
where:
bonds (distance) C4'-P energy: -159.703
bonds (distance) P-C4' energy: -166.471
flat angles C4'-P-C4' energy: -192.035
flat angles P-C4'-P energy: -107.860
tors. eta vs tors. theta energy: -215.328
Dist. restrs. and SS energy: 1.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2523.203553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.203553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.782588 (E_RNA)
where:
Base-Base interactions energy: -1692.815
where: short stacking energy: -751.670
Base-Backbone interact. energy: -1.898
local terms energy: -839.069341
where:
bonds (distance) C4'-P energy: -160.119
bonds (distance) P-C4' energy: -154.468
flat angles C4'-P-C4' energy: -188.073
flat angles P-C4'-P energy: -125.602
tors. eta vs tors. theta energy: -210.807
Dist. restrs. and SS energy: 10.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2441.007499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.007499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.842910 (E_RNA)
where:
Base-Base interactions energy: -1646.328
where: short stacking energy: -726.706
Base-Backbone interact. energy: -1.917
local terms energy: -794.598288
where:
bonds (distance) C4'-P energy: -161.042
bonds (distance) P-C4' energy: -154.414
flat angles C4'-P-C4' energy: -164.559
flat angles P-C4'-P energy: -119.070
tors. eta vs tors. theta energy: -195.513
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: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2354.751480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.751480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.013548 (E_RNA)
where:
Base-Base interactions energy: -1622.845
where: short stacking energy: -690.463
Base-Backbone interact. energy: -3.312
local terms energy: -730.856741
where:
bonds (distance) C4'-P energy: -141.219
bonds (distance) P-C4' energy: -146.747
flat angles C4'-P-C4' energy: -164.084
flat angles P-C4'-P energy: -90.192
tors. eta vs tors. theta energy: -188.615
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2277.003234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.003234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.880168 (E_RNA)
where:
Base-Base interactions energy: -1537.663
where: short stacking energy: -673.328
Base-Backbone interact. energy: 2.439
local terms energy: -743.656221
where:
bonds (distance) C4'-P energy: -158.721
bonds (distance) P-C4' energy: -147.054
flat angles C4'-P-C4' energy: -169.694
flat angles P-C4'-P energy: -93.429
tors. eta vs tors. theta energy: -174.758
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2208.726753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.726753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.305459 (E_RNA)
where:
Base-Base interactions energy: -1484.123
where: short stacking energy: -655.028
Base-Backbone interact. energy: -3.552
local terms energy: -723.629669
where:
bonds (distance) C4'-P energy: -134.912
bonds (distance) P-C4' energy: -139.455
flat angles C4'-P-C4' energy: -150.930
flat angles P-C4'-P energy: -106.341
tors. eta vs tors. theta energy: -191.992
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: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2104.879742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.879742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.505030 (E_RNA)
where:
Base-Base interactions energy: -1421.994
where: short stacking energy: -619.969
Base-Backbone interact. energy: -0.785
local terms energy: -683.726541
where:
bonds (distance) C4'-P energy: -116.201
bonds (distance) P-C4' energy: -140.475
flat angles C4'-P-C4' energy: -157.866
flat angles P-C4'-P energy: -97.416
tors. eta vs tors. theta energy: -171.768
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2054.528934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.528934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.808874 (E_RNA)
where:
Base-Base interactions energy: -1416.311
where: short stacking energy: -609.599
Base-Backbone interact. energy: -4.205
local terms energy: -636.292759
where:
bonds (distance) C4'-P energy: -117.084
bonds (distance) P-C4' energy: -145.168
flat angles C4'-P-C4' energy: -133.210
flat angles P-C4'-P energy: -87.080
tors. eta vs tors. theta energy: -153.752
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: 41
Temperature: 1.300000
Total energy: -1876.401637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.401637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.233351 (E_RNA)
where:
Base-Base interactions energy: -1263.220
where: short stacking energy: -526.936
Base-Backbone interact. energy: -1.236
local terms energy: -616.777359
where:
bonds (distance) C4'-P energy: -124.521
bonds (distance) P-C4' energy: -142.947
flat angles C4'-P-C4' energy: -134.177
flat angles P-C4'-P energy: -91.814
tors. eta vs tors. theta energy: -123.319
Dist. restrs. and SS energy: 4.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1798.360595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.360595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.619625 (E_RNA)
where:
Base-Base interactions energy: -1187.544
where: short stacking energy: -514.541
Base-Backbone interact. energy: -2.906
local terms energy: -615.168958
where:
bonds (distance) C4'-P energy: -134.976
bonds (distance) P-C4' energy: -144.962
flat angles C4'-P-C4' energy: -132.971
flat angles P-C4'-P energy: -76.122
tors. eta vs tors. theta energy: -126.138
Dist. restrs. and SS energy: 7.259 (S_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: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2522.324478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.324478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.429983 (E_RNA)
where:
Base-Base interactions energy: -1684.630
where: short stacking energy: -735.675
Base-Backbone interact. energy: -0.872
local terms energy: -842.927412
where:
bonds (distance) C4'-P energy: -164.889
bonds (distance) P-C4' energy: -173.830
flat angles C4'-P-C4' energy: -167.015
flat angles P-C4'-P energy: -123.200
tors. eta vs tors. theta energy: -213.994
Dist. restrs. and SS energy: 6.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2414.288858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.288858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.611715 (E_RNA)
where:
Base-Base interactions energy: -1618.115
where: short stacking energy: -718.166
Base-Backbone interact. energy: -3.315
local terms energy: -794.181457
where:
bonds (distance) C4'-P energy: -140.691
bonds (distance) P-C4' energy: -156.360
flat angles C4'-P-C4' energy: -170.459
flat angles P-C4'-P energy: -122.333
tors. eta vs tors. theta energy: -204.339
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2340.340169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.340169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.713555 (E_RNA)
where:
Base-Base interactions energy: -1576.781
where: short stacking energy: -706.112
Base-Backbone interact. energy: -3.622
local terms energy: -761.310470
where:
bonds (distance) C4'-P energy: -141.052
bonds (distance) P-C4' energy: -154.009
flat angles C4'-P-C4' energy: -174.806
flat angles P-C4'-P energy: -102.099
tors. eta vs tors. theta energy: -189.344
Dist. restrs. and SS energy: 1.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2282.630676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.630676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.911163 (E_RNA)
where:
Base-Base interactions energy: -1537.005
where: short stacking energy: -670.960
Base-Backbone interact. energy: 7.445
local terms energy: -754.350590
where:
bonds (distance) C4'-P energy: -156.617
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -163.008
flat angles P-C4'-P energy: -112.120
tors. eta vs tors. theta energy: -192.770
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2156.106888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.106888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.011477 (E_RNA)
where:
Base-Base interactions energy: -1443.170
where: short stacking energy: -636.572
Base-Backbone interact. energy: -1.230
local terms energy: -713.612287
where:
bonds (distance) C4'-P energy: -111.945
bonds (distance) P-C4' energy: -154.201
flat angles C4'-P-C4' energy: -168.642
flat angles P-C4'-P energy: -98.768
tors. eta vs tors. theta energy: -180.056
Dist. restrs. and SS energy: 1.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2143.902973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.902973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.590186 (E_RNA)
where:
Base-Base interactions energy: -1446.612
where: short stacking energy: -629.342
Base-Backbone interact. energy: -2.109
local terms energy: -697.868776
where:
bonds (distance) C4'-P energy: -121.113
bonds (distance) P-C4' energy: -131.355
flat angles C4'-P-C4' energy: -157.616
flat angles P-C4'-P energy: -114.669
tors. eta vs tors. theta energy: -173.116
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: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -2039.567152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.567152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.795916 (E_RNA)
where:
Base-Base interactions energy: -1357.873
where: short stacking energy: -579.111
Base-Backbone interact. energy: 2.458
local terms energy: -687.381383
where:
bonds (distance) C4'-P energy: -133.391
bonds (distance) P-C4' energy: -152.954
flat angles C4'-P-C4' energy: -153.561
flat angles P-C4'-P energy: -91.027
tors. eta vs tors. theta energy: -156.449
Dist. restrs. and SS energy: 3.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1873.079272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.079272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.713727 (E_RNA)
where:
Base-Base interactions energy: -1259.914
where: short stacking energy: -561.215
Base-Backbone interact. energy: -3.349
local terms energy: -616.450585
where:
bonds (distance) C4'-P energy: -150.832
bonds (distance) P-C4' energy: -138.842
flat angles C4'-P-C4' energy: -116.953
flat angles P-C4'-P energy: -63.179
tors. eta vs tors. theta energy: -146.645
Dist. restrs. and SS energy: 6.634 (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: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1783.380244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.380244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.411637 (E_RNA)
where:
Base-Base interactions energy: -1237.672
where: short stacking energy: -535.538
Base-Backbone interact. energy: 0.780
local terms energy: -555.519467
where:
bonds (distance) C4'-P energy: -105.900
bonds (distance) P-C4' energy: -117.340
flat angles C4'-P-C4' energy: -116.757
flat angles P-C4'-P energy: -83.316
tors. eta vs tors. theta energy: -132.206
Dist. restrs. and SS energy: 9.031 (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: 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: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2510.989080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.989080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.975560 (E_RNA)
where:
Base-Base interactions energy: -1684.550
where: short stacking energy: -726.660
Base-Backbone interact. energy: -2.625
local terms energy: -828.800307
where:
bonds (distance) C4'-P energy: -146.486
bonds (distance) P-C4' energy: -161.265
flat angles C4'-P-C4' energy: -180.579
flat angles P-C4'-P energy: -120.689
tors. eta vs tors. theta energy: -219.781
Dist. restrs. and SS energy: 4.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2480.353312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.863882 (E_RNA)
where:
Base-Base interactions energy: -1678.836
where: short stacking energy: -730.002
Base-Backbone interact. energy: -2.274
local terms energy: -801.753367
where:
bonds (distance) C4'-P energy: -152.618
bonds (distance) P-C4' energy: -149.520
flat angles C4'-P-C4' energy: -177.060
flat angles P-C4'-P energy: -115.028
tors. eta vs tors. theta energy: -207.527
Dist. restrs. and SS energy: 2.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2347.083762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.083762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.191760 (E_RNA)
where:
Base-Base interactions energy: -1560.882
where: short stacking energy: -689.478
Base-Backbone interact. energy: -2.386
local terms energy: -785.924109
where:
bonds (distance) C4'-P energy: -159.818
bonds (distance) P-C4' energy: -152.446
flat angles C4'-P-C4' energy: -164.346
flat angles P-C4'-P energy: -123.690
tors. eta vs tors. theta energy: -185.624
Dist. restrs. and SS energy: 2.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2273.546528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.546528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.301646 (E_RNA)
where:
Base-Base interactions energy: -1501.390
where: short stacking energy: -647.554
Base-Backbone interact. energy: 3.568
local terms energy: -777.480375
where:
bonds (distance) C4'-P energy: -135.641
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -177.092
flat angles P-C4'-P energy: -123.575
tors. eta vs tors. theta energy: -186.369
Dist. restrs. and SS energy: 1.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2219.865707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.865707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.284218 (E_RNA)
where:
Base-Base interactions energy: -1467.683
where: short stacking energy: -656.350
Base-Backbone interact. energy: 3.114
local terms energy: -757.715034
where:
bonds (distance) C4'-P energy: -120.925
bonds (distance) P-C4' energy: -151.565
flat angles C4'-P-C4' energy: -175.291
flat angles P-C4'-P energy: -118.124
tors. eta vs tors. theta energy: -191.811
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: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2124.502984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.502984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.346388 (E_RNA)
where:
Base-Base interactions energy: -1438.955
where: short stacking energy: -615.959
Base-Backbone interact. energy: -3.638
local terms energy: -683.753443
where:
bonds (distance) C4'-P energy: -126.689
bonds (distance) P-C4' energy: -152.470
flat angles C4'-P-C4' energy: -155.307
flat angles P-C4'-P energy: -86.567
tors. eta vs tors. theta energy: -162.720
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2021.988730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.988730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.690149 (E_RNA)
where:
Base-Base interactions energy: -1323.732
where: short stacking energy: -557.656
Base-Backbone interact. energy: -3.530
local terms energy: -697.428349
where:
bonds (distance) C4'-P energy: -146.449
bonds (distance) P-C4' energy: -154.842
flat angles C4'-P-C4' energy: -151.082
flat angles P-C4'-P energy: -101.519
tors. eta vs tors. theta energy: -143.537
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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1894.519865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.519865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.067660 (E_RNA)
where:
Base-Base interactions energy: -1269.019
where: short stacking energy: -523.195
Base-Backbone interact. energy: -2.430
local terms energy: -629.618782
where:
bonds (distance) C4'-P energy: -136.685
bonds (distance) P-C4' energy: -142.251
flat angles C4'-P-C4' energy: -131.328
flat angles P-C4'-P energy: -102.039
tors. eta vs tors. theta energy: -117.316
Dist. restrs. and SS energy: 6.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1818.663457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.663457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.932766 (E_RNA)
where:
Base-Base interactions energy: -1243.569
where: short stacking energy: -498.720
Base-Backbone interact. energy: 3.058
local terms energy: -585.422281
where:
bonds (distance) C4'-P energy: -140.835
bonds (distance) P-C4' energy: -132.319
flat angles C4'-P-C4' energy: -136.089
flat angles P-C4'-P energy: -65.542
tors. eta vs tors. theta energy: -110.636
Dist. restrs. and SS energy: 7.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2696.071471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.071471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.804315 (E_RNA)
where:
Base-Base interactions energy: -1836.572
where: short stacking energy: -810.735
Base-Backbone interact. energy: -2.008
local terms energy: -859.223952
where:
bonds (distance) C4'-P energy: -159.431
bonds (distance) P-C4' energy: -164.451
flat angles C4'-P-C4' energy: -181.199
flat angles P-C4'-P energy: -121.203
tors. eta vs tors. theta energy: -232.940
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2559.461059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.461059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.236562 (E_RNA)
where:
Base-Base interactions energy: -1738.317
where: short stacking energy: -756.962
Base-Backbone interact. energy: 0.444
local terms energy: -827.362936
where:
bonds (distance) C4'-P energy: -155.851
bonds (distance) P-C4' energy: -149.285
flat angles C4'-P-C4' energy: -172.486
flat angles P-C4'-P energy: -121.031
tors. eta vs tors. theta energy: -228.710
Dist. restrs. and SS energy: 5.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2473.924801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.924801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.504358 (E_RNA)
where:
Base-Base interactions energy: -1656.104
where: short stacking energy: -717.819
Base-Backbone interact. energy: -2.982
local terms energy: -816.419085
where:
bonds (distance) C4'-P energy: -160.296
bonds (distance) P-C4' energy: -170.294
flat angles C4'-P-C4' energy: -179.375
flat angles P-C4'-P energy: -100.492
tors. eta vs tors. theta energy: -205.962
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2373.402024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.402024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.597775 (E_RNA)
where:
Base-Base interactions energy: -1574.452
where: short stacking energy: -710.744
Base-Backbone interact. energy: -1.548
local terms energy: -799.597651
where:
bonds (distance) C4'-P energy: -155.911
bonds (distance) P-C4' energy: -148.332
flat angles C4'-P-C4' energy: -179.821
flat angles P-C4'-P energy: -111.230
tors. eta vs tors. theta energy: -204.304
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: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2287.000677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.000677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.349457 (E_RNA)
where:
Base-Base interactions energy: -1554.770
where: short stacking energy: -656.669
Base-Backbone interact. energy: 2.856
local terms energy: -737.436154
where:
bonds (distance) C4'-P energy: -144.002
bonds (distance) P-C4' energy: -152.572
flat angles C4'-P-C4' energy: -149.788
flat angles P-C4'-P energy: -93.747
tors. eta vs tors. theta energy: -197.328
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2171.819397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.819397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.919449 (E_RNA)
where:
Base-Base interactions energy: -1445.558
where: short stacking energy: -595.478
Base-Backbone interact. energy: -0.616
local terms energy: -728.744724
where:
bonds (distance) C4'-P energy: -140.519
bonds (distance) P-C4' energy: -143.674
flat angles C4'-P-C4' energy: -152.101
flat angles P-C4'-P energy: -105.146
tors. eta vs tors. theta energy: -187.305
Dist. restrs. and SS energy: 3.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2157.017216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.017216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.594363 (E_RNA)
where:
Base-Base interactions energy: -1451.487
where: short stacking energy: -633.685
Base-Backbone interact. energy: -1.190
local terms energy: -706.917781
where:
bonds (distance) C4'-P energy: -134.297
bonds (distance) P-C4' energy: -151.205
flat angles C4'-P-C4' energy: -146.313
flat angles P-C4'-P energy: -93.030
tors. eta vs tors. theta energy: -182.073
Dist. restrs. and SS energy: 2.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2029.115123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.115123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.553938 (E_RNA)
where:
Base-Base interactions energy: -1354.828
where: short stacking energy: -564.673
Base-Backbone interact. energy: -3.127
local terms energy: -673.598559
where:
bonds (distance) C4'-P energy: -139.499
bonds (distance) P-C4' energy: -134.210
flat angles C4'-P-C4' energy: -156.061
flat angles P-C4'-P energy: -101.248
tors. eta vs tors. theta energy: -142.581
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: 44
Temperature: 1.300000
Total energy: -1884.525848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.525848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.551295 (E_RNA)
where:
Base-Base interactions energy: -1299.634
where: short stacking energy: -554.947
Base-Backbone interact. energy: 6.526
local terms energy: -596.443244
where:
bonds (distance) C4'-P energy: -134.015
bonds (distance) P-C4' energy: -136.049
flat angles C4'-P-C4' energy: -119.906
flat angles P-C4'-P energy: -75.909
tors. eta vs tors. theta energy: -130.564
Dist. restrs. and SS energy: 5.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1781.209846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.209846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.951830 (E_RNA)
where:
Base-Base interactions energy: -1209.580
where: short stacking energy: -496.831
Base-Backbone interact. energy: 0.819
local terms energy: -577.190637
where:
bonds (distance) C4'-P energy: -117.505
bonds (distance) P-C4' energy: -138.010
flat angles C4'-P-C4' energy: -118.103
flat angles P-C4'-P energy: -77.588
tors. eta vs tors. theta energy: -125.985
Dist. restrs. and SS energy: 4.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2690.095834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.095834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.250529 (E_RNA)
where:
Base-Base interactions energy: -1837.342
where: short stacking energy: -810.517
Base-Backbone interact. energy: -1.978
local terms energy: -852.930266
where:
bonds (distance) C4'-P energy: -159.429
bonds (distance) P-C4' energy: -157.910
flat angles C4'-P-C4' energy: -172.111
flat angles P-C4'-P energy: -124.458
tors. eta vs tors. theta energy: -239.023
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2612.500414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.500414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.407072 (E_RNA)
where:
Base-Base interactions energy: -1749.818
where: short stacking energy: -774.756
Base-Backbone interact. energy: -1.411
local terms energy: -867.177966
where:
bonds (distance) C4'-P energy: -169.788
bonds (distance) P-C4' energy: -167.241
flat angles C4'-P-C4' energy: -185.259
flat angles P-C4'-P energy: -122.085
tors. eta vs tors. theta energy: -222.804
Dist. restrs. and SS energy: 5.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2469.811562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.811562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.238743 (E_RNA)
where:
Base-Base interactions energy: -1684.329
where: short stacking energy: -751.551
Base-Backbone interact. energy: 3.829
local terms energy: -790.739041
where:
bonds (distance) C4'-P energy: -144.654
bonds (distance) P-C4' energy: -145.927
flat angles C4'-P-C4' energy: -172.716
flat angles P-C4'-P energy: -108.334
tors. eta vs tors. theta energy: -219.109
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2383.085728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.085728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.061850 (E_RNA)
where:
Base-Base interactions energy: -1611.746
where: short stacking energy: -711.777
Base-Backbone interact. energy: 4.251
local terms energy: -777.566903
where:
bonds (distance) C4'-P energy: -143.070
bonds (distance) P-C4' energy: -157.749
flat angles C4'-P-C4' energy: -167.402
flat angles P-C4'-P energy: -106.233
tors. eta vs tors. theta energy: -203.113
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: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2279.749524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.749524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.187863 (E_RNA)
where:
Base-Base interactions energy: -1549.754
where: short stacking energy: -674.244
Base-Backbone interact. energy: 7.511
local terms energy: -738.945063
where:
bonds (distance) C4'-P energy: -140.997
bonds (distance) P-C4' energy: -142.109
flat angles C4'-P-C4' energy: -170.270
flat angles P-C4'-P energy: -117.386
tors. eta vs tors. theta energy: -168.184
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: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2259.531706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.531706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.910997 (E_RNA)
where:
Base-Base interactions energy: -1517.461
where: short stacking energy: -650.570
Base-Backbone interact. energy: -3.218
local terms energy: -741.232753
where:
bonds (distance) C4'-P energy: -138.967
bonds (distance) P-C4' energy: -146.059
flat angles C4'-P-C4' energy: -157.078
flat angles P-C4'-P energy: -106.461
tors. eta vs tors. theta energy: -192.668
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: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2092.179479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.179479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.747037 (E_RNA)
where:
Base-Base interactions energy: -1426.967
where: short stacking energy: -605.937
Base-Backbone interact. energy: 4.314
local terms energy: -672.094668
where:
bonds (distance) C4'-P energy: -122.972
bonds (distance) P-C4' energy: -142.387
flat angles C4'-P-C4' energy: -147.628
flat angles P-C4'-P energy: -78.010
tors. eta vs tors. theta energy: -181.097
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: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2037.733412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.733412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.092288 (E_RNA)
where:
Base-Base interactions energy: -1354.425
where: short stacking energy: -570.548
Base-Backbone interact. energy: -0.619
local terms energy: -685.048132
where:
bonds (distance) C4'-P energy: -148.940
bonds (distance) P-C4' energy: -147.563
flat angles C4'-P-C4' energy: -141.093
flat angles P-C4'-P energy: -80.694
tors. eta vs tors. theta energy: -166.758
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1926.786448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.786448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.296787 (E_RNA)
where:
Base-Base interactions energy: -1315.846
where: short stacking energy: -570.046
Base-Backbone interact. energy: -0.327
local terms energy: -615.123620
where:
bonds (distance) C4'-P energy: -140.621
bonds (distance) P-C4' energy: -115.586
flat angles C4'-P-C4' energy: -137.797
flat angles P-C4'-P energy: -86.431
tors. eta vs tors. theta energy: -134.689
Dist. restrs. and SS energy: 4.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1823.062119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.062119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.765062 (E_RNA)
where:
Base-Base interactions energy: -1224.157
where: short stacking energy: -510.947
Base-Backbone interact. energy: 1.970
local terms energy: -604.578308
where:
bonds (distance) C4'-P energy: -115.048
bonds (distance) P-C4' energy: -110.998
flat angles C4'-P-C4' energy: -131.907
flat angles P-C4'-P energy: -103.365
tors. eta vs tors. theta energy: -143.260
Dist. restrs. and SS energy: 3.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2634.177825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.177825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.931796 (E_RNA)
where:
Base-Base interactions energy: -1809.330
where: short stacking energy: -760.608
Base-Backbone interact. energy: -1.203
local terms energy: -824.399520
where:
bonds (distance) C4'-P energy: -156.739
bonds (distance) P-C4' energy: -157.325
flat angles C4'-P-C4' energy: -175.630
flat angles P-C4'-P energy: -124.752
tors. eta vs tors. theta energy: -209.954
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2555.698057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.698057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.992203 (E_RNA)
where:
Base-Base interactions energy: -1730.983
where: short stacking energy: -784.495
Base-Backbone interact. energy: -1.322
local terms energy: -831.686399
where:
bonds (distance) C4'-P energy: -153.394
bonds (distance) P-C4' energy: -152.222
flat angles C4'-P-C4' energy: -189.179
flat angles P-C4'-P energy: -117.812
tors. eta vs tors. theta energy: -219.079
Dist. restrs. and SS energy: 8.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2477.813192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.813192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.971948 (E_RNA)
where:
Base-Base interactions energy: -1669.835
where: short stacking energy: -739.725
Base-Backbone interact. energy: -1.050
local terms energy: -808.087399
where:
bonds (distance) C4'-P energy: -144.879
bonds (distance) P-C4' energy: -155.075
flat angles C4'-P-C4' energy: -174.032
flat angles P-C4'-P energy: -125.832
tors. eta vs tors. theta energy: -208.269
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2401.458965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.458965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.291058 (E_RNA)
where:
Base-Base interactions energy: -1607.142
where: short stacking energy: -706.718
Base-Backbone interact. energy: -1.207
local terms energy: -794.941358
where:
bonds (distance) C4'-P energy: -157.543
bonds (distance) P-C4' energy: -142.529
flat angles C4'-P-C4' energy: -177.515
flat angles P-C4'-P energy: -116.790
tors. eta vs tors. theta energy: -200.565
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: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2321.464646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.464646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.509486 (E_RNA)
where:
Base-Base interactions energy: -1563.154
where: short stacking energy: -675.588
Base-Backbone interact. energy: 1.847
local terms energy: -761.202588
where:
bonds (distance) C4'-P energy: -146.984
bonds (distance) P-C4' energy: -146.255
flat angles C4'-P-C4' energy: -175.759
flat angles P-C4'-P energy: -108.792
tors. eta vs tors. theta energy: -183.413
Dist. restrs. and SS energy: 1.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2218.600431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.600431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.786480 (E_RNA)
where:
Base-Base interactions energy: -1528.156
where: short stacking energy: -638.994
Base-Backbone interact. energy: 1.093
local terms energy: -693.723070
where:
bonds (distance) C4'-P energy: -133.398
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -162.449
flat angles P-C4'-P energy: -101.451
tors. eta vs tors. theta energy: -173.207
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: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2097.777852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.777852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.702265 (E_RNA)
where:
Base-Base interactions energy: -1440.115
where: short stacking energy: -622.451
Base-Backbone interact. energy: 5.394
local terms energy: -664.981207
where:
bonds (distance) C4'-P energy: -140.006
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -149.882
flat angles P-C4'-P energy: -88.952
tors. eta vs tors. theta energy: -177.861
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -2063.445252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.445252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.754194 (E_RNA)
where:
Base-Base interactions energy: -1380.718
where: short stacking energy: -590.908
Base-Backbone interact. energy: 0.255
local terms energy: -687.291398
where:
bonds (distance) C4'-P energy: -116.833
bonds (distance) P-C4' energy: -140.917
flat angles C4'-P-C4' energy: -155.837
flat angles P-C4'-P energy: -109.397
tors. eta vs tors. theta energy: -164.307
Dist. restrs. and SS energy: 4.309 (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: 46
Temperature: 1.300000
Total energy: -1899.705868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.705868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.398643 (E_RNA)
where:
Base-Base interactions energy: -1296.454
where: short stacking energy: -530.577
Base-Backbone interact. energy: -0.382
local terms energy: -610.562554
where:
bonds (distance) C4'-P energy: -104.942
bonds (distance) P-C4' energy: -138.064
flat angles C4'-P-C4' energy: -132.270
flat angles P-C4'-P energy: -96.026
tors. eta vs tors. theta energy: -139.261
Dist. restrs. and SS energy: 7.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1805.728812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.728812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.180622 (E_RNA)
where:
Base-Base interactions energy: -1234.355
where: short stacking energy: -539.807
Base-Backbone interact. energy: 0.115
local terms energy: -574.941173
where:
bonds (distance) C4'-P energy: -119.580
bonds (distance) P-C4' energy: -113.675
flat angles C4'-P-C4' energy: -125.491
flat angles P-C4'-P energy: -82.513
tors. eta vs tors. theta energy: -133.683
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: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2668.663236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.663236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.077099 (E_RNA)
where:
Base-Base interactions energy: -1822.720
where: short stacking energy: -789.890
Base-Backbone interact. energy: -3.164
local terms energy: -844.192745
where:
bonds (distance) C4'-P energy: -147.583
bonds (distance) P-C4' energy: -166.577
flat angles C4'-P-C4' energy: -189.534
flat angles P-C4'-P energy: -111.757
tors. eta vs tors. theta energy: -228.741
Dist. restrs. and SS energy: 1.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2570.373612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.373612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.323638 (E_RNA)
where:
Base-Base interactions energy: -1758.789
where: short stacking energy: -752.831
Base-Backbone interact. energy: -3.220
local terms energy: -814.314617
where:
bonds (distance) C4'-P energy: -147.059
bonds (distance) P-C4' energy: -167.544
flat angles C4'-P-C4' energy: -167.231
flat angles P-C4'-P energy: -120.588
tors. eta vs tors. theta energy: -211.893
Dist. restrs. and SS energy: 5.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2455.017583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.017583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.276383 (E_RNA)
where:
Base-Base interactions energy: -1648.321
where: short stacking energy: -738.016
Base-Backbone interact. energy: -0.237
local terms energy: -808.718002
where:
bonds (distance) C4'-P energy: -148.101
bonds (distance) P-C4' energy: -164.649
flat angles C4'-P-C4' energy: -169.385
flat angles P-C4'-P energy: -121.494
tors. eta vs tors. theta energy: -205.089
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: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2394.643754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.643754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.829565 (E_RNA)
where:
Base-Base interactions energy: -1638.321
where: short stacking energy: -688.493
Base-Backbone interact. energy: -1.794
local terms energy: -757.714566
where:
bonds (distance) C4'-P energy: -140.393
bonds (distance) P-C4' energy: -160.084
flat angles C4'-P-C4' energy: -165.545
flat angles P-C4'-P energy: -98.942
tors. eta vs tors. theta energy: -192.751
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: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2324.687461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.687461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.260659 (E_RNA)
where:
Base-Base interactions energy: -1611.070
where: short stacking energy: -677.277
Base-Backbone interact. energy: -1.191
local terms energy: -714.000356
where:
bonds (distance) C4'-P energy: -123.214
bonds (distance) P-C4' energy: -137.277
flat angles C4'-P-C4' energy: -175.845
flat angles P-C4'-P energy: -88.922
tors. eta vs tors. theta energy: -188.742
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2255.250018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.250018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.208635 (E_RNA)
where:
Base-Base interactions energy: -1522.212
where: short stacking energy: -674.506
Base-Backbone interact. energy: -2.553
local terms energy: -733.444298
where:
bonds (distance) C4'-P energy: -137.839
bonds (distance) P-C4' energy: -144.441
flat angles C4'-P-C4' energy: -155.900
flat angles P-C4'-P energy: -98.073
tors. eta vs tors. theta energy: -197.191
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2103.162568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.162568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.458295 (E_RNA)
where:
Base-Base interactions energy: -1432.642
where: short stacking energy: -608.568
Base-Backbone interact. energy: 3.656
local terms energy: -678.472613
where:
bonds (distance) C4'-P energy: -128.032
bonds (distance) P-C4' energy: -121.970
flat angles C4'-P-C4' energy: -164.606
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -167.394
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: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -2050.400240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.400240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.433406 (E_RNA)
where:
Base-Base interactions energy: -1401.941
where: short stacking energy: -581.025
Base-Backbone interact. energy: -0.019
local terms energy: -652.473009
where:
bonds (distance) C4'-P energy: -130.439
bonds (distance) P-C4' energy: -129.482
flat angles C4'-P-C4' energy: -151.265
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -146.842
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1934.539103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.539103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.675103 (E_RNA)
where:
Base-Base interactions energy: -1298.459
where: short stacking energy: -532.806
Base-Backbone interact. energy: -0.942
local terms energy: -638.274409
where:
bonds (distance) C4'-P energy: -133.836
bonds (distance) P-C4' energy: -129.755
flat angles C4'-P-C4' energy: -158.955
flat angles P-C4'-P energy: -80.803
tors. eta vs tors. theta energy: -134.926
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: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1815.365760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.365760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.265366 (E_RNA)
where:
Base-Base interactions energy: -1219.981
where: short stacking energy: -495.600
Base-Backbone interact. energy: -1.009
local terms energy: -599.275291
where:
bonds (distance) C4'-P energy: -110.185
bonds (distance) P-C4' energy: -153.293
flat angles C4'-P-C4' energy: -132.959
flat angles P-C4'-P energy: -81.526
tors. eta vs tors. theta energy: -121.313
Dist. restrs. and SS energy: 4.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2669.553642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.553642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.424139 (E_RNA)
where:
Base-Base interactions energy: -1820.542
where: short stacking energy: -774.738
Base-Backbone interact. energy: -4.499
local terms energy: -845.383633
where:
bonds (distance) C4'-P energy: -165.021
bonds (distance) P-C4' energy: -158.918
flat angles C4'-P-C4' energy: -181.249
flat angles P-C4'-P energy: -125.716
tors. eta vs tors. theta energy: -214.480
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: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2579.678541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.678541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.992191 (E_RNA)
where:
Base-Base interactions energy: -1751.307
where: short stacking energy: -754.949
Base-Backbone interact. energy: -0.881
local terms energy: -833.803372
where:
bonds (distance) C4'-P energy: -155.532
bonds (distance) P-C4' energy: -161.985
flat angles C4'-P-C4' energy: -187.896
flat angles P-C4'-P energy: -117.144
tors. eta vs tors. theta energy: -211.247
Dist. restrs. and SS energy: 6.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2474.552695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.552695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.866276 (E_RNA)
where:
Base-Base interactions energy: -1695.842
where: short stacking energy: -758.145
Base-Backbone interact. energy: -2.113
local terms energy: -780.911666
where:
bonds (distance) C4'-P energy: -139.185
bonds (distance) P-C4' energy: -143.031
flat angles C4'-P-C4' energy: -183.490
flat angles P-C4'-P energy: -107.903
tors. eta vs tors. theta energy: -207.303
Dist. restrs. and SS energy: 4.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2405.372515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.372515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.029429 (E_RNA)
where:
Base-Base interactions energy: -1664.993
where: short stacking energy: -696.398
Base-Backbone interact. energy: -1.557
local terms energy: -741.478822
where:
bonds (distance) C4'-P energy: -142.494
bonds (distance) P-C4' energy: -145.465
flat angles C4'-P-C4' energy: -160.399
flat angles P-C4'-P energy: -99.929
tors. eta vs tors. theta energy: -193.192
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2284.816219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.816219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.267733 (E_RNA)
where:
Base-Base interactions energy: -1568.509
where: short stacking energy: -682.136
Base-Backbone interact. energy: 1.938
local terms energy: -720.696590
where:
bonds (distance) C4'-P energy: -126.127
bonds (distance) P-C4' energy: -138.909
flat angles C4'-P-C4' energy: -152.855
flat angles P-C4'-P energy: -110.159
tors. eta vs tors. theta energy: -192.648
Dist. restrs. and SS energy: 2.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2208.650425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.650425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.580571 (E_RNA)
where:
Base-Base interactions energy: -1479.133
where: short stacking energy: -645.833
Base-Backbone interact. energy: -3.882
local terms energy: -728.565404
where:
bonds (distance) C4'-P energy: -145.125
bonds (distance) P-C4' energy: -156.824
flat angles C4'-P-C4' energy: -161.555
flat angles P-C4'-P energy: -83.252
tors. eta vs tors. theta energy: -181.808
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: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2090.663866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.663866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.623167 (E_RNA)
where:
Base-Base interactions energy: -1397.026
where: short stacking energy: -595.604
Base-Backbone interact. energy: -1.192
local terms energy: -695.405556
where:
bonds (distance) C4'-P energy: -137.768
bonds (distance) P-C4' energy: -134.495
flat angles C4'-P-C4' energy: -158.936
flat angles P-C4'-P energy: -95.475
tors. eta vs tors. theta energy: -168.732
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -2018.949272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.949272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.572063 (E_RNA)
where:
Base-Base interactions energy: -1383.144
where: short stacking energy: -578.949
Base-Backbone interact. energy: -1.384
local terms energy: -637.044023
where:
bonds (distance) C4'-P energy: -131.843
bonds (distance) P-C4' energy: -125.402
flat angles C4'-P-C4' energy: -142.132
flat angles P-C4'-P energy: -95.503
tors. eta vs tors. theta energy: -142.163
Dist. restrs. and SS energy: 2.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1941.341760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.341760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.598626 (E_RNA)
where:
Base-Base interactions energy: -1305.999
where: short stacking energy: -543.476
Base-Backbone interact. energy: 1.344
local terms energy: -638.943556
where:
bonds (distance) C4'-P energy: -133.310
bonds (distance) P-C4' energy: -123.598
flat angles C4'-P-C4' energy: -146.902
flat angles P-C4'-P energy: -97.666
tors. eta vs tors. theta energy: -137.467
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1820.191538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.191538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.715331 (E_RNA)
where:
Base-Base interactions energy: -1276.421
where: short stacking energy: -519.605
Base-Backbone interact. energy: 1.214
local terms energy: -549.508059
where:
bonds (distance) C4'-P energy: -131.820
bonds (distance) P-C4' energy: -125.515
flat angles C4'-P-C4' energy: -106.199
flat angles P-C4'-P energy: -52.929
tors. eta vs tors. theta energy: -133.045
Dist. restrs. and SS energy: 4.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2707.890300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.890300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.187408 (E_RNA)
where:
Base-Base interactions energy: -1846.777
where: short stacking energy: -792.355
Base-Backbone interact. energy: -0.698
local terms energy: -861.712370
where:
bonds (distance) C4'-P energy: -149.765
bonds (distance) P-C4' energy: -172.034
flat angles C4'-P-C4' energy: -186.770
flat angles P-C4'-P energy: -122.712
tors. eta vs tors. theta energy: -230.431
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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2620.735026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.735026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.727823 (E_RNA)
where:
Base-Base interactions energy: -1793.023
where: short stacking energy: -787.479
Base-Backbone interact. energy: -1.191
local terms energy: -833.513635
where:
bonds (distance) C4'-P energy: -153.903
bonds (distance) P-C4' energy: -164.972
flat angles C4'-P-C4' energy: -167.491
flat angles P-C4'-P energy: -126.622
tors. eta vs tors. theta energy: -220.526
Dist. restrs. and SS energy: 6.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2459.710833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.710833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.694788 (E_RNA)
where:
Base-Base interactions energy: -1669.119
where: short stacking energy: -731.148
Base-Backbone interact. energy: -1.205
local terms energy: -791.370847
where:
bonds (distance) C4'-P energy: -151.984
bonds (distance) P-C4' energy: -152.277
flat angles C4'-P-C4' energy: -174.671
flat angles P-C4'-P energy: -108.321
tors. eta vs tors. theta energy: -204.118
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2375.352787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.352787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.623572 (E_RNA)
where:
Base-Base interactions energy: -1604.315
where: short stacking energy: -695.502
Base-Backbone interact. energy: 0.638
local terms energy: -772.946956
where:
bonds (distance) C4'-P energy: -149.476
bonds (distance) P-C4' energy: -160.905
flat angles C4'-P-C4' energy: -161.583
flat angles P-C4'-P energy: -103.799
tors. eta vs tors. theta energy: -197.183
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2252.026795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.026795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.962108 (E_RNA)
where:
Base-Base interactions energy: -1526.163
where: short stacking energy: -651.621
Base-Backbone interact. energy: -2.826
local terms energy: -724.973443
where:
bonds (distance) C4'-P energy: -118.688
bonds (distance) P-C4' energy: -163.770
flat angles C4'-P-C4' energy: -163.472
flat angles P-C4'-P energy: -104.399
tors. eta vs tors. theta energy: -174.645
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2153.485365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.485365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.476017 (E_RNA)
where:
Base-Base interactions energy: -1428.955
where: short stacking energy: -599.848
Base-Backbone interact. energy: 0.327
local terms energy: -728.847261
where:
bonds (distance) C4'-P energy: -138.086
bonds (distance) P-C4' energy: -142.495
flat angles C4'-P-C4' energy: -153.556
flat angles P-C4'-P energy: -122.947
tors. eta vs tors. theta energy: -171.764
Dist. restrs. and SS energy: 3.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2063.142981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.142981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.164001 (E_RNA)
where:
Base-Base interactions energy: -1381.413
where: short stacking energy: -579.731
Base-Backbone interact. energy: 1.034
local terms energy: -685.785086
where:
bonds (distance) C4'-P energy: -126.988
bonds (distance) P-C4' energy: -148.866
flat angles C4'-P-C4' energy: -149.357
flat angles P-C4'-P energy: -107.135
tors. eta vs tors. theta energy: -153.439
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -2034.002592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.002592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.342441 (E_RNA)
where:
Base-Base interactions energy: -1374.076
where: short stacking energy: -582.631
Base-Backbone interact. energy: -1.525
local terms energy: -660.740811
where:
bonds (distance) C4'-P energy: -123.260
bonds (distance) P-C4' energy: -144.915
flat angles C4'-P-C4' energy: -153.529
flat angles P-C4'-P energy: -92.366
tors. eta vs tors. theta energy: -146.670
Dist. restrs. and SS energy: 2.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1897.166475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.166475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.009459 (E_RNA)
where:
Base-Base interactions energy: -1268.670
where: short stacking energy: -553.656
Base-Backbone interact. energy: 0.083
local terms energy: -633.422612
where:
bonds (distance) C4'-P energy: -107.255
bonds (distance) P-C4' energy: -155.045
flat angles C4'-P-C4' energy: -135.954
flat angles P-C4'-P energy: -103.587
tors. eta vs tors. theta energy: -131.582
Dist. restrs. and SS energy: 4.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1825.347073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.347073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.362181 (E_RNA)
where:
Base-Base interactions energy: -1248.254
where: short stacking energy: -524.504
Base-Backbone interact. energy: -0.246
local terms energy: -579.862238
where:
bonds (distance) C4'-P energy: -129.265
bonds (distance) P-C4' energy: -120.462
flat angles C4'-P-C4' energy: -134.709
flat angles P-C4'-P energy: -75.982
tors. eta vs tors. theta energy: -119.443
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2701.903500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.903500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.213892 (E_RNA)
where:
Base-Base interactions energy: -1840.634
where: short stacking energy: -791.981
Base-Backbone interact. energy: -5.581
local terms energy: -856.999570
where:
bonds (distance) C4'-P energy: -148.340
bonds (distance) P-C4' energy: -173.230
flat angles C4'-P-C4' energy: -180.814
flat angles P-C4'-P energy: -131.408
tors. eta vs tors. theta energy: -223.208
Dist. restrs. and SS energy: 1.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2607.978203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.978203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.618807 (E_RNA)
where:
Base-Base interactions energy: -1742.761
where: short stacking energy: -776.581
Base-Backbone interact. energy: 4.260
local terms energy: -878.117888
where:
bonds (distance) C4'-P energy: -173.433
bonds (distance) P-C4' energy: -163.924
flat angles C4'-P-C4' energy: -184.987
flat angles P-C4'-P energy: -122.428
tors. eta vs tors. theta energy: -233.347
Dist. restrs. and SS energy: 8.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2503.115076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.115076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.000200 (E_RNA)
where:
Base-Base interactions energy: -1706.807
where: short stacking energy: -759.481
Base-Backbone interact. energy: 3.566
local terms energy: -802.759179
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -166.629
flat angles C4'-P-C4' energy: -177.698
flat angles P-C4'-P energy: -109.782
tors. eta vs tors. theta energy: -207.805
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2376.854384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.854384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.615646 (E_RNA)
where:
Base-Base interactions energy: -1602.319
where: short stacking energy: -678.310
Base-Backbone interact. energy: 2.455
local terms energy: -778.752390
where:
bonds (distance) C4'-P energy: -143.165
bonds (distance) P-C4' energy: -161.461
flat angles C4'-P-C4' energy: -168.275
flat angles P-C4'-P energy: -113.573
tors. eta vs tors. theta energy: -192.278
Dist. restrs. and SS energy: 1.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2282.530894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.530894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.037842 (E_RNA)
where:
Base-Base interactions energy: -1520.319
where: short stacking energy: -639.482
Base-Backbone interact. energy: -2.237
local terms energy: -761.482235
where:
bonds (distance) C4'-P energy: -154.237
bonds (distance) P-C4' energy: -144.830
flat angles C4'-P-C4' energy: -165.405
flat angles P-C4'-P energy: -121.457
tors. eta vs tors. theta energy: -175.553
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: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2173.172163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.172163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.935535 (E_RNA)
where:
Base-Base interactions energy: -1460.288
where: short stacking energy: -622.614
Base-Backbone interact. energy: -3.840
local terms energy: -710.807011
where:
bonds (distance) C4'-P energy: -126.130
bonds (distance) P-C4' energy: -151.933
flat angles C4'-P-C4' energy: -161.454
flat angles P-C4'-P energy: -102.681
tors. eta vs tors. theta energy: -168.610
Dist. restrs. and SS energy: 1.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2124.323484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.323484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.785121 (E_RNA)
where:
Base-Base interactions energy: -1449.638
where: short stacking energy: -597.342
Base-Backbone interact. energy: 1.222
local terms energy: -679.368885
where:
bonds (distance) C4'-P energy: -134.129
bonds (distance) P-C4' energy: -152.609
flat angles C4'-P-C4' energy: -149.545
flat angles P-C4'-P energy: -91.791
tors. eta vs tors. theta energy: -151.295
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -2002.756690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.756690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.335083 (E_RNA)
where:
Base-Base interactions energy: -1367.236
where: short stacking energy: -580.294
Base-Backbone interact. energy: 1.449
local terms energy: -640.548409
where:
bonds (distance) C4'-P energy: -139.820
bonds (distance) P-C4' energy: -106.590
flat angles C4'-P-C4' energy: -159.782
flat angles P-C4'-P energy: -89.050
tors. eta vs tors. theta energy: -145.307
Dist. restrs. and SS energy: 3.578 (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: 50
Temperature: 1.300000
Total energy: -1915.099614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.099614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.079605 (E_RNA)
where:
Base-Base interactions energy: -1285.503
where: short stacking energy: -555.048
Base-Backbone interact. energy: 2.078
local terms energy: -634.654200
where:
bonds (distance) C4'-P energy: -136.144
bonds (distance) P-C4' energy: -107.472
flat angles C4'-P-C4' energy: -156.245
flat angles P-C4'-P energy: -93.222
tors. eta vs tors. theta energy: -141.572
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: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1837.719599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.719599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.965641 (E_RNA)
where:
Base-Base interactions energy: -1223.178
where: short stacking energy: -497.797
Base-Backbone interact. energy: -0.928
local terms energy: -622.859672
where:
bonds (distance) C4'-P energy: -145.958
bonds (distance) P-C4' energy: -140.284
flat angles C4'-P-C4' energy: -126.165
flat angles P-C4'-P energy: -81.368
tors. eta vs tors. theta energy: -129.086
Dist. restrs. and SS energy: 9.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2752.720476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.720476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.174416 (E_RNA)
where:
Base-Base interactions energy: -1870.607
where: short stacking energy: -801.999
Base-Backbone interact. energy: -0.376
local terms energy: -883.192000
where:
bonds (distance) C4'-P energy: -170.411
bonds (distance) P-C4' energy: -172.070
flat angles C4'-P-C4' energy: -188.876
flat angles P-C4'-P energy: -125.852
tors. eta vs tors. theta energy: -225.982
Dist. restrs. and SS energy: 1.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2577.194628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.194628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.336641 (E_RNA)
where:
Base-Base interactions energy: -1753.512
where: short stacking energy: -774.506
Base-Backbone interact. energy: 0.507
local terms energy: -830.331065
where:
bonds (distance) C4'-P energy: -159.739
bonds (distance) P-C4' energy: -181.201
flat angles C4'-P-C4' energy: -182.624
flat angles P-C4'-P energy: -87.994
tors. eta vs tors. theta energy: -218.774
Dist. restrs. and SS energy: 6.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2435.776290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.776290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.563254 (E_RNA)
where:
Base-Base interactions energy: -1630.778
where: short stacking energy: -710.543
Base-Backbone interact. energy: -1.580
local terms energy: -805.205529
where:
bonds (distance) C4'-P energy: -158.133
bonds (distance) P-C4' energy: -165.719
flat angles C4'-P-C4' energy: -176.292
flat angles P-C4'-P energy: -105.870
tors. eta vs tors. theta energy: -199.191
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: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2444.849065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.849065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.910013 (E_RNA)
where:
Base-Base interactions energy: -1689.209
where: short stacking energy: -727.845
Base-Backbone interact. energy: 1.579
local terms energy: -759.279730
where:
bonds (distance) C4'-P energy: -152.146
bonds (distance) P-C4' energy: -141.026
flat angles C4'-P-C4' energy: -165.380
flat angles P-C4'-P energy: -99.678
tors. eta vs tors. theta energy: -201.049
Dist. restrs. and SS energy: 2.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2289.943632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.943632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.137917 (E_RNA)
where:
Base-Base interactions energy: -1535.369
where: short stacking energy: -671.603
Base-Backbone interact. energy: 0.811
local terms energy: -757.579368
where:
bonds (distance) C4'-P energy: -143.907
bonds (distance) P-C4' energy: -151.319
flat angles C4'-P-C4' energy: -171.116
flat angles P-C4'-P energy: -118.643
tors. eta vs tors. theta energy: -172.595
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: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2193.373741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.373741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.844142 (E_RNA)
where:
Base-Base interactions energy: -1479.976
where: short stacking energy: -643.759
Base-Backbone interact. energy: -3.287
local terms energy: -712.581157
where:
bonds (distance) C4'-P energy: -149.572
bonds (distance) P-C4' energy: -139.257
flat angles C4'-P-C4' energy: -158.675
flat angles P-C4'-P energy: -99.672
tors. eta vs tors. theta energy: -165.405
Dist. restrs. and SS energy: 2.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2112.006330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.006330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.610366 (E_RNA)
where:
Base-Base interactions energy: -1425.624
where: short stacking energy: -615.227
Base-Backbone interact. energy: 0.188
local terms energy: -688.174625
where:
bonds (distance) C4'-P energy: -139.452
bonds (distance) P-C4' energy: -130.435
flat angles C4'-P-C4' energy: -157.638
flat angles P-C4'-P energy: -100.676
tors. eta vs tors. theta energy: -159.974
Dist. restrs. and SS energy: 1.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2029.496937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.496937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.269695 (E_RNA)
where:
Base-Base interactions energy: -1367.681
where: short stacking energy: -586.510
Base-Backbone interact. energy: 2.121
local terms energy: -668.708848
where:
bonds (distance) C4'-P energy: -133.022
bonds (distance) P-C4' energy: -151.890
flat angles C4'-P-C4' energy: -148.407
flat angles P-C4'-P energy: -82.168
tors. eta vs tors. theta energy: -153.222
Dist. restrs. and SS energy: 4.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1891.193188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.193188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.931804 (E_RNA)
where:
Base-Base interactions energy: -1272.389
where: short stacking energy: -537.451
Base-Backbone interact. energy: -0.260
local terms energy: -624.282125
where:
bonds (distance) C4'-P energy: -119.936
bonds (distance) P-C4' energy: -141.031
flat angles C4'-P-C4' energy: -138.978
flat angles P-C4'-P energy: -79.712
tors. eta vs tors. theta energy: -144.625
Dist. restrs. and SS energy: 5.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1830.539963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.539963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.316284 (E_RNA)
where:
Base-Base interactions energy: -1238.451
where: short stacking energy: -518.099
Base-Backbone interact. energy: -1.490
local terms energy: -594.375179
where:
bonds (distance) C4'-P energy: -114.395
bonds (distance) P-C4' energy: -147.425
flat angles C4'-P-C4' energy: -132.261
flat angles P-C4'-P energy: -68.472
tors. eta vs tors. theta energy: -131.822
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2763.957737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.957737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.545273 (E_RNA)
where:
Base-Base interactions energy: -1902.179
where: short stacking energy: -826.552
Base-Backbone interact. energy: 1.236
local terms energy: -864.602304
where:
bonds (distance) C4'-P energy: -154.919
bonds (distance) P-C4' energy: -171.176
flat angles C4'-P-C4' energy: -175.457
flat angles P-C4'-P energy: -125.752
tors. eta vs tors. theta energy: -237.299
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: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2612.305178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.305178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.084199 (E_RNA)
where:
Base-Base interactions energy: -1775.794
where: short stacking energy: -772.945
Base-Backbone interact. energy: -2.148
local terms energy: -840.142238
where:
bonds (distance) C4'-P energy: -150.108
bonds (distance) P-C4' energy: -160.488
flat angles C4'-P-C4' energy: -178.252
flat angles P-C4'-P energy: -122.499
tors. eta vs tors. theta energy: -228.795
Dist. restrs. and SS energy: 5.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2494.733768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.733768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.900621 (E_RNA)
where:
Base-Base interactions energy: -1681.335
where: short stacking energy: -764.018
Base-Backbone interact. energy: -1.330
local terms energy: -813.236049
where:
bonds (distance) C4'-P energy: -157.573
bonds (distance) P-C4' energy: -158.766
flat angles C4'-P-C4' energy: -179.040
flat angles P-C4'-P energy: -109.513
tors. eta vs tors. theta energy: -208.344
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: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2387.763221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.763221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.016499 (E_RNA)
where:
Base-Base interactions energy: -1606.326
where: short stacking energy: -708.116
Base-Backbone interact. energy: -2.353
local terms energy: -781.337014
where:
bonds (distance) C4'-P energy: -159.493
bonds (distance) P-C4' energy: -151.617
flat angles C4'-P-C4' energy: -164.858
flat angles P-C4'-P energy: -106.814
tors. eta vs tors. theta energy: -198.555
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2289.342434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.342434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.233132 (E_RNA)
where:
Base-Base interactions energy: -1549.478
where: short stacking energy: -690.648
Base-Backbone interact. energy: -3.290
local terms energy: -737.465275
where:
bonds (distance) C4'-P energy: -120.041
bonds (distance) P-C4' energy: -151.301
flat angles C4'-P-C4' energy: -170.980
flat angles P-C4'-P energy: -113.442
tors. eta vs tors. theta energy: -181.702
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2173.232728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.232728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.767043 (E_RNA)
where:
Base-Base interactions energy: -1461.450
where: short stacking energy: -630.636
Base-Backbone interact. energy: 0.999
local terms energy: -715.316444
where:
bonds (distance) C4'-P energy: -141.522
bonds (distance) P-C4' energy: -151.691
flat angles C4'-P-C4' energy: -161.569
flat angles P-C4'-P energy: -92.462
tors. eta vs tors. theta energy: -168.073
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: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2112.275923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.275923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.006346 (E_RNA)
where:
Base-Base interactions energy: -1424.050
where: short stacking energy: -616.289
Base-Backbone interact. energy: -4.032
local terms energy: -686.924917
where:
bonds (distance) C4'-P energy: -126.533
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -159.937
flat angles P-C4'-P energy: -100.469
tors. eta vs tors. theta energy: -160.157
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: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2059.426711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.426711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.053557 (E_RNA)
where:
Base-Base interactions energy: -1402.128
where: short stacking energy: -608.644
Base-Backbone interact. energy: 2.196
local terms energy: -662.121227
where:
bonds (distance) C4'-P energy: -142.606
bonds (distance) P-C4' energy: -128.627
flat angles C4'-P-C4' energy: -150.602
flat angles P-C4'-P energy: -81.064
tors. eta vs tors. theta energy: -159.221
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: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1895.959898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.959898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.717638 (E_RNA)
where:
Base-Base interactions energy: -1271.610
where: short stacking energy: -538.067
Base-Backbone interact. energy: 2.028
local terms energy: -630.135727
where:
bonds (distance) C4'-P energy: -122.212
bonds (distance) P-C4' energy: -121.555
flat angles C4'-P-C4' energy: -141.923
flat angles P-C4'-P energy: -100.344
tors. eta vs tors. theta energy: -144.101
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: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1820.604243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.604243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.043204 (E_RNA)
where:
Base-Base interactions energy: -1273.009
where: short stacking energy: -542.956
Base-Backbone interact. energy: -0.274
local terms energy: -550.759442
where:
bonds (distance) C4'-P energy: -114.574
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -121.910
flat angles P-C4'-P energy: -69.520
tors. eta vs tors. theta energy: -135.442
Dist. restrs. and SS energy: 3.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2746.386820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.386820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.158444 (E_RNA)
where:
Base-Base interactions energy: -1870.029
where: short stacking energy: -808.081
Base-Backbone interact. energy: -0.688
local terms energy: -876.441402
where:
bonds (distance) C4'-P energy: -166.872
bonds (distance) P-C4' energy: -166.094
flat angles C4'-P-C4' energy: -191.683
flat angles P-C4'-P energy: -129.247
tors. eta vs tors. theta energy: -222.545
Dist. restrs. and SS energy: 0.772 (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: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2591.676068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.676068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.490286 (E_RNA)
where:
Base-Base interactions energy: -1750.246
where: short stacking energy: -751.133
Base-Backbone interact. energy: 1.684
local terms energy: -848.927893
where:
bonds (distance) C4'-P energy: -150.623
bonds (distance) P-C4' energy: -160.162
flat angles C4'-P-C4' energy: -174.054
flat angles P-C4'-P energy: -134.121
tors. eta vs tors. theta energy: -229.967
Dist. restrs. and SS energy: 5.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2484.593849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.593849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.607856 (E_RNA)
where:
Base-Base interactions energy: -1708.248
where: short stacking energy: -745.515
Base-Backbone interact. energy: -1.521
local terms energy: -775.838501
where:
bonds (distance) C4'-P energy: -134.427
bonds (distance) P-C4' energy: -150.452
flat angles C4'-P-C4' energy: -168.823
flat angles P-C4'-P energy: -117.360
tors. eta vs tors. theta energy: -204.775
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: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2414.754500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.754500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.234868 (E_RNA)
where:
Base-Base interactions energy: -1632.082
where: short stacking energy: -726.667
Base-Backbone interact. energy: 1.353
local terms energy: -787.505665
where:
bonds (distance) C4'-P energy: -142.347
bonds (distance) P-C4' energy: -157.003
flat angles C4'-P-C4' energy: -155.980
flat angles P-C4'-P energy: -124.315
tors. eta vs tors. theta energy: -207.860
Dist. restrs. and SS energy: 3.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2234.023437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.023437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.480744 (E_RNA)
where:
Base-Base interactions energy: -1513.736
where: short stacking energy: -640.355
Base-Backbone interact. energy: 0.294
local terms energy: -723.038930
where:
bonds (distance) C4'-P energy: -120.648
bonds (distance) P-C4' energy: -151.825
flat angles C4'-P-C4' energy: -160.520
flat angles P-C4'-P energy: -100.338
tors. eta vs tors. theta energy: -189.707
Dist. restrs. and SS energy: 2.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2176.247407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.247407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.487272 (E_RNA)
where:
Base-Base interactions energy: -1470.947
where: short stacking energy: -642.039
Base-Backbone interact. energy: -1.629
local terms energy: -706.910758
where:
bonds (distance) C4'-P energy: -131.499
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -165.685
flat angles P-C4'-P energy: -103.824
tors. eta vs tors. theta energy: -170.727
Dist. restrs. and SS energy: 3.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2102.815280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.815280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.921105 (E_RNA)
where:
Base-Base interactions energy: -1401.871
where: short stacking energy: -602.606
Base-Backbone interact. energy: -3.509
local terms energy: -698.540995
where:
bonds (distance) C4'-P energy: -142.253
bonds (distance) P-C4' energy: -139.575
flat angles C4'-P-C4' energy: -151.776
flat angles P-C4'-P energy: -103.738
tors. eta vs tors. theta energy: -161.199
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: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2003.866501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.866501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.712306 (E_RNA)
where:
Base-Base interactions energy: -1361.183
where: short stacking energy: -577.208
Base-Backbone interact. energy: 3.254
local terms energy: -647.783510
where:
bonds (distance) C4'-P energy: -131.013
bonds (distance) P-C4' energy: -134.978
flat angles C4'-P-C4' energy: -155.902
flat angles P-C4'-P energy: -86.132
tors. eta vs tors. theta energy: -139.759
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: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1957.381106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.381106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.902561 (E_RNA)
where:
Base-Base interactions energy: -1331.251
where: short stacking energy: -563.387
Base-Backbone interact. energy: 0.251
local terms energy: -628.901898
where:
bonds (distance) C4'-P energy: -121.503
bonds (distance) P-C4' energy: -148.224
flat angles C4'-P-C4' energy: -133.505
flat angles P-C4'-P energy: -83.496
tors. eta vs tors. theta energy: -142.173
Dist. restrs. and SS energy: 2.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1847.938554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.938554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.032539 (E_RNA)
where:
Base-Base interactions energy: -1275.947
where: short stacking energy: -522.451
Base-Backbone interact. energy: 3.172
local terms energy: -578.257763
where:
bonds (distance) C4'-P energy: -117.424
bonds (distance) P-C4' energy: -130.205
flat angles C4'-P-C4' energy: -117.344
flat angles P-C4'-P energy: -89.275
tors. eta vs tors. theta energy: -124.010
Dist. restrs. and SS energy: 3.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2740.791859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.791859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.662800 (E_RNA)
where:
Base-Base interactions energy: -1881.313
where: short stacking energy: -807.421
Base-Backbone interact. energy: -5.218
local terms energy: -856.131454
where:
bonds (distance) C4'-P energy: -156.519
bonds (distance) P-C4' energy: -171.253
flat angles C4'-P-C4' energy: -176.797
flat angles P-C4'-P energy: -126.264
tors. eta vs tors. theta energy: -225.299
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2609.805255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.805255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.651142 (E_RNA)
where:
Base-Base interactions energy: -1765.545
where: short stacking energy: -742.849
Base-Backbone interact. energy: -0.385
local terms energy: -849.721637
where:
bonds (distance) C4'-P energy: -160.193
bonds (distance) P-C4' energy: -164.479
flat angles C4'-P-C4' energy: -178.465
flat angles P-C4'-P energy: -119.240
tors. eta vs tors. theta energy: -227.345
Dist. restrs. and SS energy: 5.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2459.114859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.114859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.145490 (E_RNA)
where:
Base-Base interactions energy: -1671.391
where: short stacking energy: -706.565
Base-Backbone interact. energy: -1.713
local terms energy: -788.041929
where:
bonds (distance) C4'-P energy: -149.537
bonds (distance) P-C4' energy: -146.383
flat angles C4'-P-C4' energy: -172.812
flat angles P-C4'-P energy: -117.208
tors. eta vs tors. theta energy: -202.102
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: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2442.832402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.832402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.493334 (E_RNA)
where:
Base-Base interactions energy: -1689.505
where: short stacking energy: -720.237
Base-Backbone interact. energy: -2.812
local terms energy: -752.176379
where:
bonds (distance) C4'-P energy: -120.301
bonds (distance) P-C4' energy: -161.153
flat angles C4'-P-C4' energy: -162.989
flat angles P-C4'-P energy: -110.774
tors. eta vs tors. theta energy: -196.959
Dist. restrs. and SS energy: 1.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2232.595103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.595103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.026752 (E_RNA)
where:
Base-Base interactions energy: -1489.223
where: short stacking energy: -669.836
Base-Backbone interact. energy: -5.447
local terms energy: -740.356462
where:
bonds (distance) C4'-P energy: -143.685
bonds (distance) P-C4' energy: -139.670
flat angles C4'-P-C4' energy: -169.413
flat angles P-C4'-P energy: -108.671
tors. eta vs tors. theta energy: -178.917
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: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2173.933162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.933162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.745223 (E_RNA)
where:
Base-Base interactions energy: -1441.644
where: short stacking energy: -636.072
Base-Backbone interact. energy: -3.420
local terms energy: -731.680734
where:
bonds (distance) C4'-P energy: -151.633
bonds (distance) P-C4' energy: -150.044
flat angles C4'-P-C4' energy: -163.675
flat angles P-C4'-P energy: -93.139
tors. eta vs tors. theta energy: -173.190
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2111.475753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.475753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.566442 (E_RNA)
where:
Base-Base interactions energy: -1397.508
where: short stacking energy: -590.563
Base-Backbone interact. energy: -3.549
local terms energy: -712.509567
where:
bonds (distance) C4'-P energy: -147.338
bonds (distance) P-C4' energy: -149.900
flat angles C4'-P-C4' energy: -151.915
flat angles P-C4'-P energy: -105.764
tors. eta vs tors. theta energy: -157.593
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2028.296679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.296679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.008031 (E_RNA)
where:
Base-Base interactions energy: -1375.029
where: short stacking energy: -586.276
Base-Backbone interact. energy: 0.490
local terms energy: -656.468479
where:
bonds (distance) C4'-P energy: -133.424
bonds (distance) P-C4' energy: -114.064
flat angles C4'-P-C4' energy: -146.777
flat angles P-C4'-P energy: -107.234
tors. eta vs tors. theta energy: -154.969
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1903.462812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.462812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.651326 (E_RNA)
where:
Base-Base interactions energy: -1288.503
where: short stacking energy: -554.232
Base-Backbone interact. energy: -1.491
local terms energy: -618.657216
where:
bonds (distance) C4'-P energy: -134.642
bonds (distance) P-C4' energy: -126.630
flat angles C4'-P-C4' energy: -143.310
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -136.719
Dist. restrs. and SS energy: 5.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1895.587499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.587499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.252520 (E_RNA)
where:
Base-Base interactions energy: -1299.391
where: short stacking energy: -514.999
Base-Backbone interact. energy: -3.966
local terms energy: -594.895805
where:
bonds (distance) C4'-P energy: -116.828
bonds (distance) P-C4' energy: -126.571
flat angles C4'-P-C4' energy: -147.062
flat angles P-C4'-P energy: -66.095
tors. eta vs tors. theta energy: -138.340
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: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2733.846397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.846397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.144763 (E_RNA)
where:
Base-Base interactions energy: -1897.202
where: short stacking energy: -841.641
Base-Backbone interact. energy: -0.338
local terms energy: -837.604227
where:
bonds (distance) C4'-P energy: -146.723
bonds (distance) P-C4' energy: -152.908
flat angles C4'-P-C4' energy: -181.012
flat angles P-C4'-P energy: -126.698
tors. eta vs tors. theta energy: -230.264
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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2620.573472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.573472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.643263 (E_RNA)
where:
Base-Base interactions energy: -1785.467
where: short stacking energy: -770.016
Base-Backbone interact. energy: -3.733
local terms energy: -837.443873
where:
bonds (distance) C4'-P energy: -167.899
bonds (distance) P-C4' energy: -149.437
flat angles C4'-P-C4' energy: -181.213
flat angles P-C4'-P energy: -113.250
tors. eta vs tors. theta energy: -225.646
Dist. restrs. and SS energy: 6.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2493.322838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.322838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.756687 (E_RNA)
where:
Base-Base interactions energy: -1698.248
where: short stacking energy: -750.230
Base-Backbone interact. energy: -2.936
local terms energy: -794.572499
where:
bonds (distance) C4'-P energy: -135.266
bonds (distance) P-C4' energy: -163.835
flat angles C4'-P-C4' energy: -173.169
flat angles P-C4'-P energy: -123.247
tors. eta vs tors. theta energy: -199.056
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: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2406.806473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.806473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.595923 (E_RNA)
where:
Base-Base interactions energy: -1644.950
where: short stacking energy: -711.860
Base-Backbone interact. energy: -3.870
local terms energy: -760.775754
where:
bonds (distance) C4'-P energy: -133.391
bonds (distance) P-C4' energy: -138.231
flat angles C4'-P-C4' energy: -181.653
flat angles P-C4'-P energy: -104.970
tors. eta vs tors. theta energy: -202.531
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: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2293.097364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.097364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.746350 (E_RNA)
where:
Base-Base interactions energy: -1537.993
where: short stacking energy: -659.545
Base-Backbone interact. energy: -0.675
local terms energy: -756.078276
where:
bonds (distance) C4'-P energy: -138.158
bonds (distance) P-C4' energy: -147.842
flat angles C4'-P-C4' energy: -175.207
flat angles P-C4'-P energy: -106.979
tors. eta vs tors. theta energy: -187.893
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2126.629504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.629504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.264577 (E_RNA)
where:
Base-Base interactions energy: -1441.522
where: short stacking energy: -618.924
Base-Backbone interact. energy: -1.005
local terms energy: -686.737207
where:
bonds (distance) C4'-P energy: -136.727
bonds (distance) P-C4' energy: -132.818
flat angles C4'-P-C4' energy: -159.903
flat angles P-C4'-P energy: -84.338
tors. eta vs tors. theta energy: -172.951
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: 55
Temperature: 1.200000
Total energy: -2102.637452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.637452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.439502 (E_RNA)
where:
Base-Base interactions energy: -1399.526
where: short stacking energy: -604.229
Base-Backbone interact. energy: 3.332
local terms energy: -709.245608
where:
bonds (distance) C4'-P energy: -138.204
bonds (distance) P-C4' energy: -147.485
flat angles C4'-P-C4' energy: -138.513
flat angles P-C4'-P energy: -113.007
tors. eta vs tors. theta energy: -172.037
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2022.807272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.807272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.698974 (E_RNA)
where:
Base-Base interactions energy: -1327.452
where: short stacking energy: -583.053
Base-Backbone interact. energy: -2.458
local terms energy: -694.788485
where:
bonds (distance) C4'-P energy: -148.665
bonds (distance) P-C4' energy: -117.907
flat angles C4'-P-C4' energy: -169.115
flat angles P-C4'-P energy: -108.811
tors. eta vs tors. theta energy: -150.290
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: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1942.759127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.759127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.625575 (E_RNA)
where:
Base-Base interactions energy: -1272.182
where: short stacking energy: -546.444
Base-Backbone interact. energy: -1.858
local terms energy: -672.584756
where:
bonds (distance) C4'-P energy: -140.281
bonds (distance) P-C4' energy: -160.739
flat angles C4'-P-C4' energy: -144.940
flat angles P-C4'-P energy: -77.705
tors. eta vs tors. theta energy: -148.920
Dist. restrs. and SS energy: 3.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1890.671587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.671587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.967459 (E_RNA)
where:
Base-Base interactions energy: -1286.055
where: short stacking energy: -544.094
Base-Backbone interact. energy: -2.946
local terms energy: -603.966982
where:
bonds (distance) C4'-P energy: -131.413
bonds (distance) P-C4' energy: -117.684
flat angles C4'-P-C4' energy: -147.159
flat angles P-C4'-P energy: -67.229
tors. eta vs tors. theta energy: -140.482
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2754.117518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.117518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.540879 (E_RNA)
where:
Base-Base interactions energy: -1863.748
where: short stacking energy: -819.188
Base-Backbone interact. energy: 3.431
local terms energy: -895.223536
where:
bonds (distance) C4'-P energy: -178.671
bonds (distance) P-C4' energy: -164.787
flat angles C4'-P-C4' energy: -192.878
flat angles P-C4'-P energy: -118.122
tors. eta vs tors. theta energy: -240.765
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2648.288230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.288230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.128076 (E_RNA)
where:
Base-Base interactions energy: -1788.287
where: short stacking energy: -770.857
Base-Backbone interact. energy: -0.439
local terms energy: -867.402199
where:
bonds (distance) C4'-P energy: -161.667
bonds (distance) P-C4' energy: -164.281
flat angles C4'-P-C4' energy: -183.299
flat angles P-C4'-P energy: -128.739
tors. eta vs tors. theta energy: -229.416
Dist. restrs. and SS energy: 7.840 (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: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2491.339143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.339143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.242865 (E_RNA)
where:
Base-Base interactions energy: -1720.936
where: short stacking energy: -752.774
Base-Backbone interact. energy: -4.363
local terms energy: -766.943389
where:
bonds (distance) C4'-P energy: -142.937
bonds (distance) P-C4' energy: -148.600
flat angles C4'-P-C4' energy: -165.476
flat angles P-C4'-P energy: -99.595
tors. eta vs tors. theta energy: -210.335
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2405.914084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.914084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.061668 (E_RNA)
where:
Base-Base interactions energy: -1644.845
where: short stacking energy: -723.617
Base-Backbone interact. energy: -2.428
local terms energy: -759.788507
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -163.301
flat angles C4'-P-C4' energy: -161.824
flat angles P-C4'-P energy: -97.626
tors. eta vs tors. theta energy: -206.900
Dist. restrs. and SS energy: 1.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2245.294696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.294696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.611299 (E_RNA)
where:
Base-Base interactions energy: -1529.843
where: short stacking energy: -642.271
Base-Backbone interact. energy: -4.690
local terms energy: -714.078723
where:
bonds (distance) C4'-P energy: -128.397
bonds (distance) P-C4' energy: -141.638
flat angles C4'-P-C4' energy: -170.284
flat angles P-C4'-P energy: -106.032
tors. eta vs tors. theta energy: -167.728
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2124.661192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.661192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.609573 (E_RNA)
where:
Base-Base interactions energy: -1494.290
where: short stacking energy: -659.564
Base-Backbone interact. energy: -0.970
local terms energy: -631.349976
where:
bonds (distance) C4'-P energy: -116.193
bonds (distance) P-C4' energy: -120.420
flat angles C4'-P-C4' energy: -145.175
flat angles P-C4'-P energy: -88.748
tors. eta vs tors. theta energy: -160.813
Dist. restrs. and SS energy: 1.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2081.347402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.347402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.185015 (E_RNA)
where:
Base-Base interactions energy: -1404.341
where: short stacking energy: -585.264
Base-Backbone interact. energy: 0.689
local terms energy: -680.533078
where:
bonds (distance) C4'-P energy: -133.511
bonds (distance) P-C4' energy: -141.142
flat angles C4'-P-C4' energy: -141.479
flat angles P-C4'-P energy: -110.400
tors. eta vs tors. theta energy: -154.001
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: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2000.334731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.334731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.240397 (E_RNA)
where:
Base-Base interactions energy: -1368.853
where: short stacking energy: -579.832
Base-Backbone interact. energy: 6.951
local terms energy: -641.338070
where:
bonds (distance) C4'-P energy: -133.321
bonds (distance) P-C4' energy: -125.110
flat angles C4'-P-C4' energy: -136.666
flat angles P-C4'-P energy: -101.817
tors. eta vs tors. theta energy: -144.424
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: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1921.542685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.542685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.798156 (E_RNA)
where:
Base-Base interactions energy: -1313.937
where: short stacking energy: -554.697
Base-Backbone interact. energy: 2.586
local terms energy: -613.447110
where:
bonds (distance) C4'-P energy: -92.928
bonds (distance) P-C4' energy: -161.277
flat angles C4'-P-C4' energy: -143.315
flat angles P-C4'-P energy: -87.067
tors. eta vs tors. theta energy: -128.861
Dist. restrs. and SS energy: 3.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1883.537651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.537651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.783241 (E_RNA)
where:
Base-Base interactions energy: -1284.124
where: short stacking energy: -558.497
Base-Backbone interact. energy: -0.731
local terms energy: -606.928342
where:
bonds (distance) C4'-P energy: -107.929
bonds (distance) P-C4' energy: -145.407
flat angles C4'-P-C4' energy: -142.399
flat angles P-C4'-P energy: -70.056
tors. eta vs tors. theta energy: -141.137
Dist. restrs. and SS energy: 8.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2706.387916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.387916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.382073 (E_RNA)
where:
Base-Base interactions energy: -1825.903
where: short stacking energy: -770.099
Base-Backbone interact. energy: 5.502
local terms energy: -887.981614
where:
bonds (distance) C4'-P energy: -169.125
bonds (distance) P-C4' energy: -166.935
flat angles C4'-P-C4' energy: -189.114
flat angles P-C4'-P energy: -132.993
tors. eta vs tors. theta energy: -229.814
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2550.005105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.005105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.863769 (E_RNA)
where:
Base-Base interactions energy: -1739.984
where: short stacking energy: -753.568
Base-Backbone interact. energy: -1.593
local terms energy: -810.286060
where:
bonds (distance) C4'-P energy: -145.099
bonds (distance) P-C4' energy: -156.708
flat angles C4'-P-C4' energy: -188.699
flat angles P-C4'-P energy: -105.189
tors. eta vs tors. theta energy: -214.591
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2546.830050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.830050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.701137 (E_RNA)
where:
Base-Base interactions energy: -1733.827
where: short stacking energy: -750.591
Base-Backbone interact. energy: 5.182
local terms energy: -825.055917
where:
bonds (distance) C4'-P energy: -170.033
bonds (distance) P-C4' energy: -147.549
flat angles C4'-P-C4' energy: -181.618
flat angles P-C4'-P energy: -117.983
tors. eta vs tors. theta energy: -207.872
Dist. restrs. and SS energy: 6.871 (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: 57
Temperature: 1.050000
Total energy: -2494.122095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.122095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.175133 (E_RNA)
where:
Base-Base interactions energy: -1716.186
where: short stacking energy: -750.782
Base-Backbone interact. energy: -3.667
local terms energy: -777.322220
where:
bonds (distance) C4'-P energy: -145.388
bonds (distance) P-C4' energy: -138.190
flat angles C4'-P-C4' energy: -162.420
flat angles P-C4'-P energy: -117.370
tors. eta vs tors. theta energy: -213.953
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2292.680886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.680886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.143817 (E_RNA)
where:
Base-Base interactions energy: -1567.884
where: short stacking energy: -667.179
Base-Backbone interact. energy: -1.692
local terms energy: -726.567198
where:
bonds (distance) C4'-P energy: -122.521
bonds (distance) P-C4' energy: -157.180
flat angles C4'-P-C4' energy: -174.858
flat angles P-C4'-P energy: -93.852
tors. eta vs tors. theta energy: -178.157
Dist. restrs. and SS energy: 3.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2112.972770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.972770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.032792 (E_RNA)
where:
Base-Base interactions energy: -1430.729
where: short stacking energy: -612.476
Base-Backbone interact. energy: 1.165
local terms energy: -685.469344
where:
bonds (distance) C4'-P energy: -132.664
bonds (distance) P-C4' energy: -157.151
flat angles C4'-P-C4' energy: -143.894
flat angles P-C4'-P energy: -102.104
tors. eta vs tors. theta energy: -149.657
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2111.211874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.211874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.585898 (E_RNA)
where:
Base-Base interactions energy: -1431.846
where: short stacking energy: -623.805
Base-Backbone interact. energy: -1.766
local terms energy: -678.973797
where:
bonds (distance) C4'-P energy: -128.792
bonds (distance) P-C4' energy: -131.127
flat angles C4'-P-C4' energy: -153.729
flat angles P-C4'-P energy: -95.046
tors. eta vs tors. theta energy: -170.279
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: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2005.128312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.128312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.680814 (E_RNA)
where:
Base-Base interactions energy: -1343.576
where: short stacking energy: -573.643
Base-Backbone interact. energy: -1.811
local terms energy: -662.293988
where:
bonds (distance) C4'-P energy: -115.592
bonds (distance) P-C4' energy: -148.403
flat angles C4'-P-C4' energy: -153.046
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -153.910
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1912.268518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.268518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.048694 (E_RNA)
where:
Base-Base interactions energy: -1290.213
where: short stacking energy: -534.836
Base-Backbone interact. energy: 0.820
local terms energy: -625.655757
where:
bonds (distance) C4'-P energy: -110.114
bonds (distance) P-C4' energy: -131.967
flat angles C4'-P-C4' energy: -144.182
flat angles P-C4'-P energy: -85.508
tors. eta vs tors. theta energy: -153.883
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: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1879.338927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.338927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.480226 (E_RNA)
where:
Base-Base interactions energy: -1270.555
where: short stacking energy: -546.893
Base-Backbone interact. energy: 2.460
local terms energy: -615.384906
where:
bonds (distance) C4'-P energy: -119.236
bonds (distance) P-C4' energy: -141.884
flat angles C4'-P-C4' energy: -139.218
flat angles P-C4'-P energy: -90.791
tors. eta vs tors. theta energy: -124.255
Dist. restrs. and SS energy: 4.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2743.844628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.844628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.431783 (E_RNA)
where:
Base-Base interactions energy: -1889.085
where: short stacking energy: -797.319
Base-Backbone interact. energy: 3.270
local terms energy: -859.616187
where:
bonds (distance) C4'-P energy: -165.837
bonds (distance) P-C4' energy: -173.307
flat angles C4'-P-C4' energy: -176.847
flat angles P-C4'-P energy: -118.355
tors. eta vs tors. theta energy: -225.269
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: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2552.756573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.756573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.105044 (E_RNA)
where:
Base-Base interactions energy: -1720.396
where: short stacking energy: -762.223
Base-Backbone interact. energy: -4.493
local terms energy: -829.216121
where:
bonds (distance) C4'-P energy: -169.822
bonds (distance) P-C4' energy: -156.145
flat angles C4'-P-C4' energy: -181.639
flat angles P-C4'-P energy: -115.828
tors. eta vs tors. theta energy: -205.781
Dist. restrs. and SS energy: 1.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2547.854575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.854575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.207321 (E_RNA)
where:
Base-Base interactions energy: -1727.690
where: short stacking energy: -762.520
Base-Backbone interact. energy: -1.440
local terms energy: -820.077336
where:
bonds (distance) C4'-P energy: -166.024
bonds (distance) P-C4' energy: -149.082
flat angles C4'-P-C4' energy: -175.546
flat angles P-C4'-P energy: -104.348
tors. eta vs tors. theta energy: -225.077
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2443.466180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.466180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.156306 (E_RNA)
where:
Base-Base interactions energy: -1668.945
where: short stacking energy: -688.919
Base-Backbone interact. energy: -2.487
local terms energy: -778.724020
where:
bonds (distance) C4'-P energy: -144.837
bonds (distance) P-C4' energy: -169.791
flat angles C4'-P-C4' energy: -164.372
flat angles P-C4'-P energy: -105.477
tors. eta vs tors. theta energy: -194.248
Dist. restrs. and SS energy: 6.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2351.620067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.620067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.650808 (E_RNA)
where:
Base-Base interactions energy: -1604.540
where: short stacking energy: -694.020
Base-Backbone interact. energy: -1.935
local terms energy: -747.176315
where:
bonds (distance) C4'-P energy: -138.215
bonds (distance) P-C4' energy: -147.836
flat angles C4'-P-C4' energy: -159.974
flat angles P-C4'-P energy: -106.763
tors. eta vs tors. theta energy: -194.389
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: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2173.963271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.963271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.927938 (E_RNA)
where:
Base-Base interactions energy: -1446.270
where: short stacking energy: -645.328
Base-Backbone interact. energy: 1.610
local terms energy: -731.267812
where:
bonds (distance) C4'-P energy: -140.218
bonds (distance) P-C4' energy: -160.087
flat angles C4'-P-C4' energy: -163.425
flat angles P-C4'-P energy: -103.211
tors. eta vs tors. theta energy: -164.328
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2057.822990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.822990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.835930 (E_RNA)
where:
Base-Base interactions energy: -1408.683
where: short stacking energy: -612.954
Base-Backbone interact. energy: -4.468
local terms energy: -647.684804
where:
bonds (distance) C4'-P energy: -135.022
bonds (distance) P-C4' energy: -134.983
flat angles C4'-P-C4' energy: -133.436
flat angles P-C4'-P energy: -75.714
tors. eta vs tors. theta energy: -168.529
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: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2050.685598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.685598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.224000 (E_RNA)
where:
Base-Base interactions energy: -1381.760
where: short stacking energy: -596.834
Base-Backbone interact. energy: -4.150
local terms energy: -667.314409
where:
bonds (distance) C4'-P energy: -147.985
bonds (distance) P-C4' energy: -132.508
flat angles C4'-P-C4' energy: -143.019
flat angles P-C4'-P energy: -87.693
tors. eta vs tors. theta energy: -156.109
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: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1899.896734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.896734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.613329 (E_RNA)
where:
Base-Base interactions energy: -1303.552
where: short stacking energy: -571.084
Base-Backbone interact. energy: -4.115
local terms energy: -596.945996
where:
bonds (distance) C4'-P energy: -113.832
bonds (distance) P-C4' energy: -131.555
flat angles C4'-P-C4' energy: -134.671
flat angles P-C4'-P energy: -72.930
tors. eta vs tors. theta energy: -143.957
Dist. restrs. and SS energy: 4.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1879.458750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.458750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.446776 (E_RNA)
where:
Base-Base interactions energy: -1319.125
where: short stacking energy: -554.489
Base-Backbone interact. energy: 2.988
local terms energy: -566.309264
where:
bonds (distance) C4'-P energy: -119.882
bonds (distance) P-C4' energy: -124.332
flat angles C4'-P-C4' energy: -122.858
flat angles P-C4'-P energy: -59.065
tors. eta vs tors. theta energy: -140.173
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2734.617608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.617608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.111084 (E_RNA)
where:
Base-Base interactions energy: -1868.726
where: short stacking energy: -828.727
Base-Backbone interact. energy: 3.164
local terms energy: -870.549186
where:
bonds (distance) C4'-P energy: -153.981
bonds (distance) P-C4' energy: -149.854
flat angles C4'-P-C4' energy: -186.310
flat angles P-C4'-P energy: -134.143
tors. eta vs tors. theta energy: -246.261
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2628.624341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.624341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.062275 (E_RNA)
where:
Base-Base interactions energy: -1812.958
where: short stacking energy: -781.454
Base-Backbone interact. energy: -1.508
local terms energy: -815.595543
where:
bonds (distance) C4'-P energy: -145.314
bonds (distance) P-C4' energy: -162.325
flat angles C4'-P-C4' energy: -165.634
flat angles P-C4'-P energy: -119.341
tors. eta vs tors. theta energy: -222.982
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: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2484.590948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.590948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.846339 (E_RNA)
where:
Base-Base interactions energy: -1681.813
where: short stacking energy: -769.107
Base-Backbone interact. energy: -1.175
local terms energy: -802.858353
where:
bonds (distance) C4'-P energy: -153.779
bonds (distance) P-C4' energy: -158.617
flat angles C4'-P-C4' energy: -171.498
flat angles P-C4'-P energy: -107.634
tors. eta vs tors. theta energy: -211.331
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: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2468.430560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.430560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.774866 (E_RNA)
where:
Base-Base interactions energy: -1695.092
where: short stacking energy: -713.627
Base-Backbone interact. energy: -0.367
local terms energy: -779.316074
where:
bonds (distance) C4'-P energy: -159.630
bonds (distance) P-C4' energy: -150.285
flat angles C4'-P-C4' energy: -167.960
flat angles P-C4'-P energy: -99.434
tors. eta vs tors. theta energy: -202.007
Dist. restrs. and SS energy: 6.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2366.722876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.722876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.710421 (E_RNA)
where:
Base-Base interactions energy: -1597.853
where: short stacking energy: -708.264
Base-Backbone interact. energy: -0.042
local terms energy: -771.815675
where:
bonds (distance) C4'-P energy: -155.785
bonds (distance) P-C4' energy: -144.891
flat angles C4'-P-C4' energy: -165.482
flat angles P-C4'-P energy: -107.243
tors. eta vs tors. theta energy: -198.414
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2132.890829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.890829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.332256 (E_RNA)
where:
Base-Base interactions energy: -1438.975
where: short stacking energy: -615.979
Base-Backbone interact. energy: -0.412
local terms energy: -696.945915
where:
bonds (distance) C4'-P energy: -134.464
bonds (distance) P-C4' energy: -145.668
flat angles C4'-P-C4' energy: -162.721
flat angles P-C4'-P energy: -94.979
tors. eta vs tors. theta energy: -159.114
Dist. restrs. and SS energy: 3.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2134.158142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.158142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.602878 (E_RNA)
where:
Base-Base interactions energy: -1415.522
where: short stacking energy: -591.446
Base-Backbone interact. energy: 3.179
local terms energy: -724.260410
where:
bonds (distance) C4'-P energy: -133.546
bonds (distance) P-C4' energy: -161.833
flat angles C4'-P-C4' energy: -159.115
flat angles P-C4'-P energy: -104.460
tors. eta vs tors. theta energy: -165.307
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: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2028.153649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.153649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.216867 (E_RNA)
where:
Base-Base interactions energy: -1362.143
where: short stacking energy: -576.407
Base-Backbone interact. energy: 8.941
local terms energy: -677.014993
where:
bonds (distance) C4'-P energy: -128.497
bonds (distance) P-C4' energy: -140.005
flat angles C4'-P-C4' energy: -143.236
flat angles P-C4'-P energy: -102.214
tors. eta vs tors. theta energy: -163.063
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1981.364453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.364453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.232395 (E_RNA)
where:
Base-Base interactions energy: -1338.480
where: short stacking energy: -564.014
Base-Backbone interact. energy: -0.744
local terms energy: -645.007628
where:
bonds (distance) C4'-P energy: -132.517
bonds (distance) P-C4' energy: -134.580
flat angles C4'-P-C4' energy: -146.826
flat angles P-C4'-P energy: -78.316
tors. eta vs tors. theta energy: -152.770
Dist. restrs. and SS energy: 2.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1907.426667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.426667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.334645 (E_RNA)
where:
Base-Base interactions energy: -1313.192
where: short stacking energy: -569.637
Base-Backbone interact. energy: -2.563
local terms energy: -594.580063
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -133.917
flat angles C4'-P-C4' energy: -122.606
flat angles P-C4'-P energy: -80.123
tors. eta vs tors. theta energy: -145.794
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: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2730.953672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.953672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.279668 (E_RNA)
where:
Base-Base interactions energy: -1861.522
where: short stacking energy: -814.380
Base-Backbone interact. energy: 6.134
local terms energy: -876.891717
where:
bonds (distance) C4'-P energy: -158.307
bonds (distance) P-C4' energy: -178.069
flat angles C4'-P-C4' energy: -184.367
flat angles P-C4'-P energy: -120.462
tors. eta vs tors. theta energy: -235.686
Dist. restrs. and SS energy: 1.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2662.861145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.861145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.536973 (E_RNA)
where:
Base-Base interactions energy: -1817.748
where: short stacking energy: -795.339
Base-Backbone interact. energy: 0.318
local terms energy: -847.107075
where:
bonds (distance) C4'-P energy: -147.924
bonds (distance) P-C4' energy: -168.884
flat angles C4'-P-C4' energy: -181.736
flat angles P-C4'-P energy: -120.048
tors. eta vs tors. theta energy: -228.516
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: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2535.824944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.824944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.233277 (E_RNA)
where:
Base-Base interactions energy: -1729.641
where: short stacking energy: -758.774
Base-Backbone interact. energy: 5.610
local terms energy: -819.202010
where:
bonds (distance) C4'-P energy: -145.539
bonds (distance) P-C4' energy: -157.699
flat angles C4'-P-C4' energy: -180.463
flat angles P-C4'-P energy: -111.650
tors. eta vs tors. theta energy: -223.851
Dist. restrs. and SS energy: 7.408 (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: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2365.024677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.024677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.094708 (E_RNA)
where:
Base-Base interactions energy: -1598.451
where: short stacking energy: -683.268
Base-Backbone interact. energy: 2.313
local terms energy: -770.957685
where:
bonds (distance) C4'-P energy: -152.991
bonds (distance) P-C4' energy: -155.507
flat angles C4'-P-C4' energy: -179.434
flat angles P-C4'-P energy: -98.048
tors. eta vs tors. theta energy: -184.978
Dist. restrs. and SS energy: 2.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2374.252833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.252833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.705997 (E_RNA)
where:
Base-Base interactions energy: -1610.777
where: short stacking energy: -660.342
Base-Backbone interact. energy: -3.162
local terms energy: -761.767070
where:
bonds (distance) C4'-P energy: -138.483
bonds (distance) P-C4' energy: -155.461
flat angles C4'-P-C4' energy: -180.728
flat angles P-C4'-P energy: -92.190
tors. eta vs tors. theta energy: -194.905
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: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2149.947945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.947945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.796322 (E_RNA)
where:
Base-Base interactions energy: -1429.974
where: short stacking energy: -604.336
Base-Backbone interact. energy: 2.660
local terms energy: -724.482765
where:
bonds (distance) C4'-P energy: -138.602
bonds (distance) P-C4' energy: -147.933
flat angles C4'-P-C4' energy: -180.585
flat angles P-C4'-P energy: -91.211
tors. eta vs tors. theta energy: -166.152
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: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2092.946732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.946732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.571301 (E_RNA)
where:
Base-Base interactions energy: -1434.416
where: short stacking energy: -601.192
Base-Backbone interact. energy: 0.773
local terms energy: -661.927531
where:
bonds (distance) C4'-P energy: -125.277
bonds (distance) P-C4' energy: -141.642
flat angles C4'-P-C4' energy: -148.006
flat angles P-C4'-P energy: -80.884
tors. eta vs tors. theta energy: -166.119
Dist. restrs. and SS energy: 2.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1986.052340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.052340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.230717 (E_RNA)
where:
Base-Base interactions energy: -1333.218
where: short stacking energy: -585.075
Base-Backbone interact. energy: -4.197
local terms energy: -651.815646
where:
bonds (distance) C4'-P energy: -136.544
bonds (distance) P-C4' energy: -119.039
flat angles C4'-P-C4' energy: -148.622
flat angles P-C4'-P energy: -94.188
tors. eta vs tors. theta energy: -153.422
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: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1939.315478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.315478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.873801 (E_RNA)
where:
Base-Base interactions energy: -1322.879
where: short stacking energy: -562.980
Base-Backbone interact. energy: 3.861
local terms energy: -622.856071
where:
bonds (distance) C4'-P energy: -115.634
bonds (distance) P-C4' energy: -136.126
flat angles C4'-P-C4' energy: -145.884
flat angles P-C4'-P energy: -90.262
tors. eta vs tors. theta energy: -134.951
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1878.919335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.919335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.650791 (E_RNA)
where:
Base-Base interactions energy: -1287.693
where: short stacking energy: -553.973
Base-Backbone interact. energy: -1.944
local terms energy: -592.013634
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -125.981
flat angles C4'-P-C4' energy: -130.409
flat angles P-C4'-P energy: -55.380
tors. eta vs tors. theta energy: -149.442
Dist. restrs. and SS energy: 2.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2706.043792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.043792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.717230 (E_RNA)
where:
Base-Base interactions energy: -1829.058
where: short stacking energy: -785.397
Base-Backbone interact. energy: 11.719
local terms energy: -889.378731
where:
bonds (distance) C4'-P energy: -165.764
bonds (distance) P-C4' energy: -162.845
flat angles C4'-P-C4' energy: -178.621
flat angles P-C4'-P energy: -146.302
tors. eta vs tors. theta energy: -235.847
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2639.473636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.473636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.029854 (E_RNA)
where:
Base-Base interactions energy: -1796.102
where: short stacking energy: -778.168
Base-Backbone interact. energy: -4.253
local terms energy: -840.674892
where:
bonds (distance) C4'-P energy: -152.437
bonds (distance) P-C4' energy: -154.889
flat angles C4'-P-C4' energy: -189.018
flat angles P-C4'-P energy: -113.850
tors. eta vs tors. theta energy: -230.480
Dist. restrs. and SS energy: 1.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2509.360138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.360138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.488262 (E_RNA)
where:
Base-Base interactions energy: -1720.644
where: short stacking energy: -713.226
Base-Backbone interact. energy: -2.197
local terms energy: -795.647255
where:
bonds (distance) C4'-P energy: -144.313
bonds (distance) P-C4' energy: -144.118
flat angles C4'-P-C4' energy: -180.368
flat angles P-C4'-P energy: -112.131
tors. eta vs tors. theta energy: -214.717
Dist. restrs. and SS energy: 9.128 (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: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2442.769233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.769233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.380001 (E_RNA)
where:
Base-Base interactions energy: -1648.240
where: short stacking energy: -702.848
Base-Backbone interact. energy: -1.418
local terms energy: -794.721249
where:
bonds (distance) C4'-P energy: -159.808
bonds (distance) P-C4' energy: -161.580
flat angles C4'-P-C4' energy: -168.624
flat angles P-C4'-P energy: -106.200
tors. eta vs tors. theta energy: -198.509
Dist. restrs. and SS energy: 1.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2285.216643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.216643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.083354 (E_RNA)
where:
Base-Base interactions energy: -1547.605
where: short stacking energy: -668.339
Base-Backbone interact. energy: -3.008
local terms energy: -736.470910
where:
bonds (distance) C4'-P energy: -127.598
bonds (distance) P-C4' energy: -144.591
flat angles C4'-P-C4' energy: -175.337
flat angles P-C4'-P energy: -116.563
tors. eta vs tors. theta energy: -172.381
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: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2206.598542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.598542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.582462 (E_RNA)
where:
Base-Base interactions energy: -1467.166
where: short stacking energy: -644.891
Base-Backbone interact. energy: -0.800
local terms energy: -741.616561
where:
bonds (distance) C4'-P energy: -147.445
bonds (distance) P-C4' energy: -148.206
flat angles C4'-P-C4' energy: -158.549
flat angles P-C4'-P energy: -113.518
tors. eta vs tors. theta energy: -173.899
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2084.870268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.870268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.268015 (E_RNA)
where:
Base-Base interactions energy: -1398.054
where: short stacking energy: -596.197
Base-Backbone interact. energy: -1.860
local terms energy: -686.354088
where:
bonds (distance) C4'-P energy: -132.387
bonds (distance) P-C4' energy: -147.842
flat angles C4'-P-C4' energy: -149.491
flat angles P-C4'-P energy: -99.687
tors. eta vs tors. theta energy: -156.948
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2009.142229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.142229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.523231 (E_RNA)
where:
Base-Base interactions energy: -1330.745
where: short stacking energy: -602.266
Base-Backbone interact. energy: 2.997
local terms energy: -683.775631
where:
bonds (distance) C4'-P energy: -124.092
bonds (distance) P-C4' energy: -150.747
flat angles C4'-P-C4' energy: -142.463
flat angles P-C4'-P energy: -105.727
tors. eta vs tors. theta energy: -160.745
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1929.982903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.982903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.885383 (E_RNA)
where:
Base-Base interactions energy: -1333.657
where: short stacking energy: -568.372
Base-Backbone interact. energy: -3.801
local terms energy: -595.427129
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -107.101
flat angles C4'-P-C4' energy: -138.571
flat angles P-C4'-P energy: -89.163
tors. eta vs tors. theta energy: -133.432
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1883.738345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.738345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.611241 (E_RNA)
where:
Base-Base interactions energy: -1301.947
where: short stacking energy: -567.020
Base-Backbone interact. energy: -0.908
local terms energy: -585.756111
where:
bonds (distance) C4'-P energy: -108.280
bonds (distance) P-C4' energy: -91.564
flat angles C4'-P-C4' energy: -140.953
flat angles P-C4'-P energy: -87.354
tors. eta vs tors. theta energy: -157.605
Dist. restrs. and SS energy: 4.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2741.244748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.244748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.186104 (E_RNA)
where:
Base-Base interactions energy: -1857.590
where: short stacking energy: -814.409
Base-Backbone interact. energy: 4.023
local terms energy: -889.618994
where:
bonds (distance) C4'-P energy: -158.900
bonds (distance) P-C4' energy: -164.333
flat angles C4'-P-C4' energy: -200.421
flat angles P-C4'-P energy: -129.743
tors. eta vs tors. theta energy: -236.222
Dist. restrs. and SS energy: 1.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2672.919181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.919181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.371387 (E_RNA)
where:
Base-Base interactions energy: -1808.747
where: short stacking energy: -791.732
Base-Backbone interact. energy: -1.313
local terms energy: -864.310811
where:
bonds (distance) C4'-P energy: -164.168
bonds (distance) P-C4' energy: -165.043
flat angles C4'-P-C4' energy: -183.113
flat angles P-C4'-P energy: -127.531
tors. eta vs tors. theta energy: -224.455
Dist. restrs. and SS energy: 1.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2517.969915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.969915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.274561 (E_RNA)
where:
Base-Base interactions energy: -1722.775
where: short stacking energy: -747.228
Base-Backbone interact. energy: -1.366
local terms energy: -801.133213
where:
bonds (distance) C4'-P energy: -138.345
bonds (distance) P-C4' energy: -158.855
flat angles C4'-P-C4' energy: -175.661
flat angles P-C4'-P energy: -121.371
tors. eta vs tors. theta energy: -206.902
Dist. restrs. and SS energy: 7.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2442.032934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.032934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.701290 (E_RNA)
where:
Base-Base interactions energy: -1660.654
where: short stacking energy: -704.064
Base-Backbone interact. energy: -4.003
local terms energy: -780.044039
where:
bonds (distance) C4'-P energy: -135.780
bonds (distance) P-C4' energy: -157.050
flat angles C4'-P-C4' energy: -171.219
flat angles P-C4'-P energy: -106.922
tors. eta vs tors. theta energy: -209.073
Dist. restrs. and SS energy: 2.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2267.641817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.641817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.603195 (E_RNA)
where:
Base-Base interactions energy: -1541.448
where: short stacking energy: -677.135
Base-Backbone interact. energy: -2.380
local terms energy: -726.775214
where:
bonds (distance) C4'-P energy: -113.090
bonds (distance) P-C4' energy: -158.601
flat angles C4'-P-C4' energy: -164.287
flat angles P-C4'-P energy: -106.351
tors. eta vs tors. theta energy: -184.446
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: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2147.835584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.835584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.095302 (E_RNA)
where:
Base-Base interactions energy: -1460.434
where: short stacking energy: -627.846
Base-Backbone interact. energy: -1.688
local terms energy: -687.972902
where:
bonds (distance) C4'-P energy: -129.586
bonds (distance) P-C4' energy: -133.107
flat angles C4'-P-C4' energy: -157.710
flat angles P-C4'-P energy: -101.092
tors. eta vs tors. theta energy: -166.479
Dist. restrs. and SS energy: 2.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2117.146587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.146587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.460845 (E_RNA)
where:
Base-Base interactions energy: -1407.890
where: short stacking energy: -604.510
Base-Backbone interact. energy: -2.065
local terms energy: -709.505386
where:
bonds (distance) C4'-P energy: -156.352
bonds (distance) P-C4' energy: -158.772
flat angles C4'-P-C4' energy: -158.212
flat angles P-C4'-P energy: -89.441
tors. eta vs tors. theta energy: -146.729
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1952.234667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.157576 (E_RNA)
where:
Base-Base interactions energy: -1321.064
where: short stacking energy: -545.294
Base-Backbone interact. energy: -0.465
local terms energy: -634.629258
where:
bonds (distance) C4'-P energy: -134.999
bonds (distance) P-C4' energy: -136.469
flat angles C4'-P-C4' energy: -136.066
flat angles P-C4'-P energy: -100.425
tors. eta vs tors. theta energy: -126.671
Dist. restrs. and SS energy: 3.923 (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: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1928.948547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.948547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.149874 (E_RNA)
where:
Base-Base interactions energy: -1293.024
where: short stacking energy: -532.895
Base-Backbone interact. energy: -1.286
local terms energy: -637.839527
where:
bonds (distance) C4'-P energy: -124.915
bonds (distance) P-C4' energy: -138.128
flat angles C4'-P-C4' energy: -145.739
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -137.806
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1837.072518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.072518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.419443 (E_RNA)
where:
Base-Base interactions energy: -1270.673
where: short stacking energy: -542.270
Base-Backbone interact. energy: -1.244
local terms energy: -572.502151
where:
bonds (distance) C4'-P energy: -124.042
bonds (distance) P-C4' energy: -130.679
flat angles C4'-P-C4' energy: -127.211
flat angles P-C4'-P energy: -68.518
tors. eta vs tors. theta energy: -122.052
Dist. restrs. and SS energy: 7.347 (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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2725.593625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.593625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.751635 (E_RNA)
where:
Base-Base interactions energy: -1833.293
where: short stacking energy: -778.164
Base-Backbone interact. energy: 4.337
local terms energy: -898.795354
where:
bonds (distance) C4'-P energy: -167.512
bonds (distance) P-C4' energy: -175.111
flat angles C4'-P-C4' energy: -188.441
flat angles P-C4'-P energy: -135.691
tors. eta vs tors. theta energy: -232.040
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: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2680.465254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.465254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.401948 (E_RNA)
where:
Base-Base interactions energy: -1829.997
where: short stacking energy: -805.480
Base-Backbone interact. energy: -3.297
local terms energy: -848.107199
where:
bonds (distance) C4'-P energy: -163.983
bonds (distance) P-C4' energy: -159.836
flat angles C4'-P-C4' energy: -179.489
flat angles P-C4'-P energy: -112.294
tors. eta vs tors. theta energy: -232.506
Dist. restrs. and SS energy: 0.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2522.097134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.097134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.268399 (E_RNA)
where:
Base-Base interactions energy: -1714.400
where: short stacking energy: -757.382
Base-Backbone interact. energy: -4.540
local terms energy: -811.328213
where:
bonds (distance) C4'-P energy: -145.349
bonds (distance) P-C4' energy: -159.529
flat angles C4'-P-C4' energy: -181.194
flat angles P-C4'-P energy: -114.173
tors. eta vs tors. theta energy: -211.083
Dist. restrs. and SS energy: 8.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2465.380601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.380601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.217157 (E_RNA)
where:
Base-Base interactions energy: -1670.446
where: short stacking energy: -701.948
Base-Backbone interact. energy: 0.081
local terms energy: -797.852253
where:
bonds (distance) C4'-P energy: -137.874
bonds (distance) P-C4' energy: -162.025
flat angles C4'-P-C4' energy: -183.121
flat angles P-C4'-P energy: -111.311
tors. eta vs tors. theta energy: -203.521
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: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2260.154185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.154185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.321292 (E_RNA)
where:
Base-Base interactions energy: -1520.452
where: short stacking energy: -649.904
Base-Backbone interact. energy: -1.221
local terms energy: -739.648051
where:
bonds (distance) C4'-P energy: -151.056
bonds (distance) P-C4' energy: -151.510
flat angles C4'-P-C4' energy: -157.338
flat angles P-C4'-P energy: -104.887
tors. eta vs tors. theta energy: -174.857
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: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2144.707075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.707075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.629210 (E_RNA)
where:
Base-Base interactions energy: -1412.785
where: short stacking energy: -628.904
Base-Backbone interact. energy: -0.512
local terms energy: -735.332782
where:
bonds (distance) C4'-P energy: -147.477
bonds (distance) P-C4' energy: -148.178
flat angles C4'-P-C4' energy: -154.749
flat angles P-C4'-P energy: -107.090
tors. eta vs tors. theta energy: -177.839
Dist. restrs. and SS energy: 3.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2092.775370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.775370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.631864 (E_RNA)
where:
Base-Base interactions energy: -1409.505
where: short stacking energy: -631.771
Base-Backbone interact. energy: -0.561
local terms energy: -685.565777
where:
bonds (distance) C4'-P energy: -134.572
bonds (distance) P-C4' energy: -142.692
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -164.108
Dist. restrs. and SS energy: 2.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1976.210421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.210421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.327132 (E_RNA)
where:
Base-Base interactions energy: -1291.958
where: short stacking energy: -540.646
Base-Backbone interact. energy: 0.888
local terms energy: -688.257389
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -144.559
flat angles C4'-P-C4' energy: -139.298
flat angles P-C4'-P energy: -106.763
tors. eta vs tors. theta energy: -151.716
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1943.907549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.907549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.176743 (E_RNA)
where:
Base-Base interactions energy: -1329.803
where: short stacking energy: -581.192
Base-Backbone interact. energy: -2.033
local terms energy: -614.340418
where:
bonds (distance) C4'-P energy: -121.377
bonds (distance) P-C4' energy: -117.810
flat angles C4'-P-C4' energy: -138.849
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -150.137
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: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1834.725104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.725104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.625894 (E_RNA)
where:
Base-Base interactions energy: -1268.176
where: short stacking energy: -514.196
Base-Backbone interact. energy: 1.603
local terms energy: -571.053502
where:
bonds (distance) C4'-P energy: -119.677
bonds (distance) P-C4' energy: -140.936
flat angles C4'-P-C4' energy: -112.663
flat angles P-C4'-P energy: -79.162
tors. eta vs tors. theta energy: -118.615
Dist. restrs. and SS energy: 2.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2729.457369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.457369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.200921 (E_RNA)
where:
Base-Base interactions energy: -1854.735
where: short stacking energy: -800.789
Base-Backbone interact. energy: -0.201
local terms energy: -876.264696
where:
bonds (distance) C4'-P energy: -163.820
bonds (distance) P-C4' energy: -166.063
flat angles C4'-P-C4' energy: -190.670
flat angles P-C4'-P energy: -131.042
tors. eta vs tors. theta energy: -224.669
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: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2676.335885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.335885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.653589 (E_RNA)
where:
Base-Base interactions energy: -1825.421
where: short stacking energy: -797.747
Base-Backbone interact. energy: 3.981
local terms energy: -857.213935
where:
bonds (distance) C4'-P energy: -148.990
bonds (distance) P-C4' energy: -174.089
flat angles C4'-P-C4' energy: -177.062
flat angles P-C4'-P energy: -115.634
tors. eta vs tors. theta energy: -241.440
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: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2486.361346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.361346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.644330 (E_RNA)
where:
Base-Base interactions energy: -1690.689
where: short stacking energy: -740.544
Base-Backbone interact. energy: 4.137
local terms energy: -808.092140
where:
bonds (distance) C4'-P energy: -166.075
bonds (distance) P-C4' energy: -144.390
flat angles C4'-P-C4' energy: -181.169
flat angles P-C4'-P energy: -104.480
tors. eta vs tors. theta energy: -211.978
Dist. restrs. and SS energy: 8.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2476.620294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.620294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.437332 (E_RNA)
where:
Base-Base interactions energy: -1682.544
where: short stacking energy: -692.457
Base-Backbone interact. energy: -0.047
local terms energy: -795.846304
where:
bonds (distance) C4'-P energy: -147.863
bonds (distance) P-C4' energy: -162.522
flat angles C4'-P-C4' energy: -160.276
flat angles P-C4'-P energy: -117.077
tors. eta vs tors. theta energy: -208.107
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: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2273.792994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.792994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.750312 (E_RNA)
where:
Base-Base interactions energy: -1534.195
where: short stacking energy: -653.255
Base-Backbone interact. energy: 0.342
local terms energy: -741.896970
where:
bonds (distance) C4'-P energy: -150.748
bonds (distance) P-C4' energy: -149.416
flat angles C4'-P-C4' energy: -162.446
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -186.275
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: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2184.783550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.783550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.521242 (E_RNA)
where:
Base-Base interactions energy: -1459.442
where: short stacking energy: -620.935
Base-Backbone interact. energy: -2.371
local terms energy: -725.708555
where:
bonds (distance) C4'-P energy: -138.646
bonds (distance) P-C4' energy: -145.699
flat angles C4'-P-C4' energy: -169.998
flat angles P-C4'-P energy: -107.480
tors. eta vs tors. theta energy: -163.886
Dist. restrs. and SS energy: 2.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2102.104556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.104556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.026659 (E_RNA)
where:
Base-Base interactions energy: -1412.160
where: short stacking energy: -612.922
Base-Backbone interact. energy: 2.238
local terms energy: -694.104721
where:
bonds (distance) C4'-P energy: -135.486
bonds (distance) P-C4' energy: -132.823
flat angles C4'-P-C4' energy: -152.240
flat angles P-C4'-P energy: -105.284
tors. eta vs tors. theta energy: -168.272
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: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2013.075585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.075585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.710335 (E_RNA)
where:
Base-Base interactions energy: -1344.850
where: short stacking energy: -576.273
Base-Backbone interact. energy: -0.147
local terms energy: -670.713776
where:
bonds (distance) C4'-P energy: -138.183
bonds (distance) P-C4' energy: -136.160
flat angles C4'-P-C4' energy: -148.843
flat angles P-C4'-P energy: -98.637
tors. eta vs tors. theta energy: -148.891
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1932.555013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.555013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.833534 (E_RNA)
where:
Base-Base interactions energy: -1286.126
where: short stacking energy: -545.607
Base-Backbone interact. energy: 0.353
local terms energy: -650.060280
where:
bonds (distance) C4'-P energy: -133.322
bonds (distance) P-C4' energy: -136.406
flat angles C4'-P-C4' energy: -144.082
flat angles P-C4'-P energy: -88.218
tors. eta vs tors. theta energy: -148.033
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: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1860.945067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.945067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.614816 (E_RNA)
where:
Base-Base interactions energy: -1299.142
where: short stacking energy: -541.978
Base-Backbone interact. energy: 1.406
local terms energy: -565.879476
where:
bonds (distance) C4'-P energy: -131.835
bonds (distance) P-C4' energy: -110.873
flat angles C4'-P-C4' energy: -112.681
flat angles P-C4'-P energy: -83.929
tors. eta vs tors. theta energy: -126.561
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2722.138838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.138838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.728992 (E_RNA)
where:
Base-Base interactions energy: -1875.836
where: short stacking energy: -782.419
Base-Backbone interact. energy: 2.190
local terms energy: -851.082868
where:
bonds (distance) C4'-P energy: -161.534
bonds (distance) P-C4' energy: -164.335
flat angles C4'-P-C4' energy: -181.529
flat angles P-C4'-P energy: -123.371
tors. eta vs tors. theta energy: -220.315
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2682.367841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.367841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.012306 (E_RNA)
where:
Base-Base interactions energy: -1810.002
where: short stacking energy: -793.215
Base-Backbone interact. energy: -2.323
local terms energy: -871.687788
where:
bonds (distance) C4'-P energy: -164.474
bonds (distance) P-C4' energy: -162.724
flat angles C4'-P-C4' energy: -176.074
flat angles P-C4'-P energy: -128.513
tors. eta vs tors. theta energy: -239.903
Dist. restrs. and SS energy: 1.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2501.372999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.372999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.886870 (E_RNA)
where:
Base-Base interactions energy: -1703.763
where: short stacking energy: -736.031
Base-Backbone interact. energy: -2.829
local terms energy: -802.294918
where:
bonds (distance) C4'-P energy: -149.012
bonds (distance) P-C4' energy: -159.298
flat angles C4'-P-C4' energy: -164.296
flat angles P-C4'-P energy: -114.145
tors. eta vs tors. theta energy: -215.545
Dist. restrs. and SS energy: 7.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2458.082528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.082528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.235277 (E_RNA)
where:
Base-Base interactions energy: -1681.967
where: short stacking energy: -717.825
Base-Backbone interact. energy: -4.178
local terms energy: -774.090548
where:
bonds (distance) C4'-P energy: -132.925
bonds (distance) P-C4' energy: -135.950
flat angles C4'-P-C4' energy: -177.906
flat angles P-C4'-P energy: -110.347
tors. eta vs tors. theta energy: -216.963
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: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2294.006083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.006083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.149965 (E_RNA)
where:
Base-Base interactions energy: -1550.892
where: short stacking energy: -678.258
Base-Backbone interact. energy: -0.499
local terms energy: -743.759531
where:
bonds (distance) C4'-P energy: -154.074
bonds (distance) P-C4' energy: -153.771
flat angles C4'-P-C4' energy: -144.446
flat angles P-C4'-P energy: -97.184
tors. eta vs tors. theta energy: -194.285
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: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2160.384629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.384629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.156058 (E_RNA)
where:
Base-Base interactions energy: -1434.407
where: short stacking energy: -621.439
Base-Backbone interact. energy: -2.915
local terms energy: -724.834038
where:
bonds (distance) C4'-P energy: -140.171
bonds (distance) P-C4' energy: -141.159
flat angles C4'-P-C4' energy: -156.443
flat angles P-C4'-P energy: -106.640
tors. eta vs tors. theta energy: -180.422
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: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2136.091610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.091610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.351173 (E_RNA)
where:
Base-Base interactions energy: -1438.147
where: short stacking energy: -623.572
Base-Backbone interact. energy: -0.128
local terms energy: -701.076478
where:
bonds (distance) C4'-P energy: -131.721
bonds (distance) P-C4' energy: -166.690
flat angles C4'-P-C4' energy: -137.518
flat angles P-C4'-P energy: -94.189
tors. eta vs tors. theta energy: -170.959
Dist. restrs. and SS energy: 3.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -2017.111518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.111518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.344303 (E_RNA)
where:
Base-Base interactions energy: -1408.362
where: short stacking energy: -580.717
Base-Backbone interact. energy: -2.982
local terms energy: -609.000193
where:
bonds (distance) C4'-P energy: -137.742
bonds (distance) P-C4' energy: -112.687
flat angles C4'-P-C4' energy: -134.167
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -150.049
Dist. restrs. and SS energy: 3.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1961.707012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.707012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.556215 (E_RNA)
where:
Base-Base interactions energy: -1350.795
where: short stacking energy: -574.752
Base-Backbone interact. energy: 0.524
local terms energy: -614.285542
where:
bonds (distance) C4'-P energy: -115.943
bonds (distance) P-C4' energy: -137.825
flat angles C4'-P-C4' energy: -128.058
flat angles P-C4'-P energy: -96.535
tors. eta vs tors. theta energy: -135.924
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: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1844.508965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.508965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.795175 (E_RNA)
where:
Base-Base interactions energy: -1264.818
where: short stacking energy: -513.842
Base-Backbone interact. energy: -1.526
local terms energy: -581.450831
where:
bonds (distance) C4'-P energy: -120.312
bonds (distance) P-C4' energy: -120.838
flat angles C4'-P-C4' energy: -133.805
flat angles P-C4'-P energy: -89.974
tors. eta vs tors. theta energy: -116.522
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2757.116678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.116678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.515645 (E_RNA)
where:
Base-Base interactions energy: -1888.162
where: short stacking energy: -801.043
Base-Backbone interact. energy: -1.331
local terms energy: -870.022704
where:
bonds (distance) C4'-P energy: -155.745
bonds (distance) P-C4' energy: -169.492
flat angles C4'-P-C4' energy: -194.112
flat angles P-C4'-P energy: -133.070
tors. eta vs tors. theta energy: -217.604
Dist. restrs. and SS energy: 2.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2677.506256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.506256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.126248 (E_RNA)
where:
Base-Base interactions energy: -1831.281
where: short stacking energy: -807.052
Base-Backbone interact. energy: -3.788
local terms energy: -845.056869
where:
bonds (distance) C4'-P energy: -152.517
bonds (distance) P-C4' energy: -145.997
flat angles C4'-P-C4' energy: -182.985
flat angles P-C4'-P energy: -130.458
tors. eta vs tors. theta energy: -233.100
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: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2571.333319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.333319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.793174 (E_RNA)
where:
Base-Base interactions energy: -1757.189
where: short stacking energy: -759.855
Base-Backbone interact. energy: 0.540
local terms energy: -817.144012
where:
bonds (distance) C4'-P energy: -141.691
bonds (distance) P-C4' energy: -154.674
flat angles C4'-P-C4' energy: -172.328
flat angles P-C4'-P energy: -127.524
tors. eta vs tors. theta energy: -220.927
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: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2458.641042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.641042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.868202 (E_RNA)
where:
Base-Base interactions energy: -1691.052
where: short stacking energy: -763.665
Base-Backbone interact. energy: 4.323
local terms energy: -780.139312
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -149.796
flat angles C4'-P-C4' energy: -161.300
flat angles P-C4'-P energy: -99.731
tors. eta vs tors. theta energy: -229.414
Dist. restrs. and SS energy: 8.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2262.221055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.221055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.021951 (E_RNA)
where:
Base-Base interactions energy: -1517.250
where: short stacking energy: -677.135
Base-Backbone interact. energy: -4.210
local terms energy: -742.561996
where:
bonds (distance) C4'-P energy: -141.601
bonds (distance) P-C4' energy: -144.914
flat angles C4'-P-C4' energy: -157.184
flat angles P-C4'-P energy: -114.364
tors. eta vs tors. theta energy: -184.498
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: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2136.960801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.960801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.778548 (E_RNA)
where:
Base-Base interactions energy: -1439.105
where: short stacking energy: -612.507
Base-Backbone interact. energy: -2.605
local terms energy: -697.068167
where:
bonds (distance) C4'-P energy: -141.687
bonds (distance) P-C4' energy: -139.242
flat angles C4'-P-C4' energy: -153.433
flat angles P-C4'-P energy: -90.981
tors. eta vs tors. theta energy: -171.725
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2114.718622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.718622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.855609 (E_RNA)
where:
Base-Base interactions energy: -1412.870
where: short stacking energy: -614.124
Base-Backbone interact. energy: -4.130
local terms energy: -699.855102
where:
bonds (distance) C4'-P energy: -145.358
bonds (distance) P-C4' energy: -148.069
flat angles C4'-P-C4' energy: -154.410
flat angles P-C4'-P energy: -86.942
tors. eta vs tors. theta energy: -165.075
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: 66
Temperature: 1.250000
Total energy: -2021.024848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.024848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.937512 (E_RNA)
where:
Base-Base interactions energy: -1362.845
where: short stacking energy: -596.055
Base-Backbone interact. energy: -3.565
local terms energy: -658.527814
where:
bonds (distance) C4'-P energy: -128.244
bonds (distance) P-C4' energy: -117.056
flat angles C4'-P-C4' energy: -161.796
flat angles P-C4'-P energy: -94.430
tors. eta vs tors. theta energy: -157.001
Dist. restrs. and SS energy: 3.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1921.167859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.167859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.097129 (E_RNA)
where:
Base-Base interactions energy: -1293.734
where: short stacking energy: -541.091
Base-Backbone interact. energy: -0.097
local terms energy: -630.265810
where:
bonds (distance) C4'-P energy: -126.440
bonds (distance) P-C4' energy: -131.323
flat angles C4'-P-C4' energy: -134.321
flat angles P-C4'-P energy: -93.016
tors. eta vs tors. theta energy: -145.166
Dist. restrs. and SS energy: 2.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1856.564535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.564535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.568054 (E_RNA)
where:
Base-Base interactions energy: -1258.858
where: short stacking energy: -513.163
Base-Backbone interact. energy: 1.482
local terms energy: -608.192410
where:
bonds (distance) C4'-P energy: -122.770
bonds (distance) P-C4' energy: -131.236
flat angles C4'-P-C4' energy: -157.401
flat angles P-C4'-P energy: -81.142
tors. eta vs tors. theta energy: -115.644
Dist. restrs. and SS energy: 9.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2722.132621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.132621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.714293 (E_RNA)
where:
Base-Base interactions energy: -1843.709
where: short stacking energy: -794.784
Base-Backbone interact. energy: -4.124
local terms energy: -876.881045
where:
bonds (distance) C4'-P energy: -171.049
bonds (distance) P-C4' energy: -159.855
flat angles C4'-P-C4' energy: -196.880
flat angles P-C4'-P energy: -123.432
tors. eta vs tors. theta energy: -225.664
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2655.362492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.362492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.924462 (E_RNA)
where:
Base-Base interactions energy: -1802.092
where: short stacking energy: -808.667
Base-Backbone interact. energy: -4.231
local terms energy: -850.601033
where:
bonds (distance) C4'-P energy: -148.306
bonds (distance) P-C4' energy: -171.545
flat angles C4'-P-C4' energy: -187.635
flat angles P-C4'-P energy: -110.895
tors. eta vs tors. theta energy: -232.220
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2610.379449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.379449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.470072 (E_RNA)
where:
Base-Base interactions energy: -1795.748
where: short stacking energy: -771.080
Base-Backbone interact. energy: -4.073
local terms energy: -811.650019
where:
bonds (distance) C4'-P energy: -147.491
bonds (distance) P-C4' energy: -155.251
flat angles C4'-P-C4' energy: -179.293
flat angles P-C4'-P energy: -115.101
tors. eta vs tors. theta energy: -214.514
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2426.921697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.921697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.203000 (E_RNA)
where:
Base-Base interactions energy: -1669.267
where: short stacking energy: -710.042
Base-Backbone interact. energy: -2.517
local terms energy: -762.419434
where:
bonds (distance) C4'-P energy: -136.507
bonds (distance) P-C4' energy: -154.723
flat angles C4'-P-C4' energy: -166.556
flat angles P-C4'-P energy: -97.218
tors. eta vs tors. theta energy: -207.416
Dist. restrs. and SS energy: 7.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2279.297768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.297768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.751779 (E_RNA)
where:
Base-Base interactions energy: -1539.957
where: short stacking energy: -657.567
Base-Backbone interact. energy: 1.238
local terms energy: -742.033026
where:
bonds (distance) C4'-P energy: -142.079
bonds (distance) P-C4' energy: -157.523
flat angles C4'-P-C4' energy: -159.716
flat angles P-C4'-P energy: -101.017
tors. eta vs tors. theta energy: -181.698
Dist. restrs. and SS energy: 1.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2193.431066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.431066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.120522 (E_RNA)
where:
Base-Base interactions energy: -1493.818
where: short stacking energy: -647.316
Base-Backbone interact. energy: -2.934
local terms energy: -698.368847
where:
bonds (distance) C4'-P energy: -134.429
bonds (distance) P-C4' energy: -135.191
flat angles C4'-P-C4' energy: -160.448
flat angles P-C4'-P energy: -90.759
tors. eta vs tors. theta energy: -177.542
Dist. restrs. and SS energy: 1.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2043.016810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.016810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.640143 (E_RNA)
where:
Base-Base interactions energy: -1386.886
where: short stacking energy: -600.234
Base-Backbone interact. energy: 4.550
local terms energy: -663.303872
where:
bonds (distance) C4'-P energy: -127.820
bonds (distance) P-C4' energy: -145.697
flat angles C4'-P-C4' energy: -156.592
flat angles P-C4'-P energy: -81.284
tors. eta vs tors. theta energy: -151.911
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: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2037.019338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.019338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.540418 (E_RNA)
where:
Base-Base interactions energy: -1358.910
where: short stacking energy: -574.771
Base-Backbone interact. energy: -2.278
local terms energy: -680.352672
where:
bonds (distance) C4'-P energy: -129.360
bonds (distance) P-C4' energy: -163.843
flat angles C4'-P-C4' energy: -135.889
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -157.696
Dist. restrs. and SS energy: 4.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1915.096771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.096771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.428080 (E_RNA)
where:
Base-Base interactions energy: -1289.112
where: short stacking energy: -515.658
Base-Backbone interact. energy: -2.874
local terms energy: -625.441847
where:
bonds (distance) C4'-P energy: -128.408
bonds (distance) P-C4' energy: -144.571
flat angles C4'-P-C4' energy: -133.862
flat angles P-C4'-P energy: -108.397
tors. eta vs tors. theta energy: -110.204
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: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1847.230059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.230059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.358222 (E_RNA)
where:
Base-Base interactions energy: -1256.954
where: short stacking energy: -537.856
Base-Backbone interact. energy: 1.751
local terms energy: -596.155551
where:
bonds (distance) C4'-P energy: -114.668
bonds (distance) P-C4' energy: -131.409
flat angles C4'-P-C4' energy: -148.701
flat angles P-C4'-P energy: -62.853
tors. eta vs tors. theta energy: -138.524
Dist. restrs. and SS energy: 4.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2772.648225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.648225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.857479 (E_RNA)
where:
Base-Base interactions energy: -1906.112
where: short stacking energy: -836.433
Base-Backbone interact. energy: -3.903
local terms energy: -865.842906
where:
bonds (distance) C4'-P energy: -165.117
bonds (distance) P-C4' energy: -162.304
flat angles C4'-P-C4' energy: -178.619
flat angles P-C4'-P energy: -120.721
tors. eta vs tors. theta energy: -239.082
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: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2644.746999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.746999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.085870 (E_RNA)
where:
Base-Base interactions energy: -1783.335
where: short stacking energy: -774.786
Base-Backbone interact. energy: -5.812
local terms energy: -856.938804
where:
bonds (distance) C4'-P energy: -157.644
bonds (distance) P-C4' energy: -172.497
flat angles C4'-P-C4' energy: -176.975
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -229.744
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: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2567.792569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.792569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.303526 (E_RNA)
where:
Base-Base interactions energy: -1750.635
where: short stacking energy: -779.590
Base-Backbone interact. energy: -1.827
local terms energy: -816.841260
where:
bonds (distance) C4'-P energy: -146.484
bonds (distance) P-C4' energy: -175.094
flat angles C4'-P-C4' energy: -164.888
flat angles P-C4'-P energy: -112.000
tors. eta vs tors. theta energy: -218.375
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2390.164923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.164923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.683717 (E_RNA)
where:
Base-Base interactions energy: -1625.082
where: short stacking energy: -710.047
Base-Backbone interact. energy: -2.125
local terms energy: -768.476404
where:
bonds (distance) C4'-P energy: -137.545
bonds (distance) P-C4' energy: -147.808
flat angles C4'-P-C4' energy: -176.940
flat angles P-C4'-P energy: -113.514
tors. eta vs tors. theta energy: -192.670
Dist. restrs. and SS energy: 5.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2274.001899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.001899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.680823 (E_RNA)
where:
Base-Base interactions energy: -1528.872
where: short stacking energy: -673.227
Base-Backbone interact. energy: -3.148
local terms energy: -743.661130
where:
bonds (distance) C4'-P energy: -145.472
bonds (distance) P-C4' energy: -160.690
flat angles C4'-P-C4' energy: -161.389
flat angles P-C4'-P energy: -101.032
tors. eta vs tors. theta energy: -175.077
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2188.756031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.756031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.786860 (E_RNA)
where:
Base-Base interactions energy: -1453.016
where: short stacking energy: -648.683
Base-Backbone interact. energy: 0.085
local terms energy: -737.855305
where:
bonds (distance) C4'-P energy: -133.833
bonds (distance) P-C4' energy: -150.243
flat angles C4'-P-C4' energy: -162.504
flat angles P-C4'-P energy: -116.031
tors. eta vs tors. theta energy: -175.245
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2120.663044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.663044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.998319 (E_RNA)
where:
Base-Base interactions energy: -1434.619
where: short stacking energy: -627.855
Base-Backbone interact. energy: -0.947
local terms energy: -687.432379
where:
bonds (distance) C4'-P energy: -138.892
bonds (distance) P-C4' energy: -137.479
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -95.858
tors. eta vs tors. theta energy: -161.320
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2029.603824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.603824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.101382 (E_RNA)
where:
Base-Base interactions energy: -1384.971
where: short stacking energy: -587.226
Base-Backbone interact. energy: 4.766
local terms energy: -651.896679
where:
bonds (distance) C4'-P energy: -131.489
bonds (distance) P-C4' energy: -145.539
flat angles C4'-P-C4' energy: -148.539
flat angles P-C4'-P energy: -79.146
tors. eta vs tors. theta energy: -147.184
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1920.625955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.625955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.533042 (E_RNA)
where:
Base-Base interactions energy: -1296.949
where: short stacking energy: -543.285
Base-Backbone interact. energy: 7.972
local terms energy: -636.556883
where:
bonds (distance) C4'-P energy: -138.853
bonds (distance) P-C4' energy: -137.445
flat angles C4'-P-C4' energy: -145.882
flat angles P-C4'-P energy: -75.120
tors. eta vs tors. theta energy: -139.258
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1826.602783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.602783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.471803 (E_RNA)
where:
Base-Base interactions energy: -1253.378
where: short stacking energy: -521.155
Base-Backbone interact. energy: 2.404
local terms energy: -579.498557
where:
bonds (distance) C4'-P energy: -109.628
bonds (distance) P-C4' energy: -143.596
flat angles C4'-P-C4' energy: -129.093
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -135.227
Dist. restrs. and SS energy: 3.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2760.039621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.039621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.171962 (E_RNA)
where:
Base-Base interactions energy: -1883.861
where: short stacking energy: -805.607
Base-Backbone interact. energy: -3.083
local terms energy: -875.227711
where:
bonds (distance) C4'-P energy: -163.321
bonds (distance) P-C4' energy: -161.941
flat angles C4'-P-C4' energy: -193.862
flat angles P-C4'-P energy: -116.434
tors. eta vs tors. theta energy: -239.669
Dist. restrs. and SS energy: 2.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2637.221979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.221979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.315122 (E_RNA)
where:
Base-Base interactions energy: -1791.117
where: short stacking energy: -779.601
Base-Backbone interact. energy: 0.377
local terms energy: -847.575787
where:
bonds (distance) C4'-P energy: -157.329
bonds (distance) P-C4' energy: -158.062
flat angles C4'-P-C4' energy: -182.790
flat angles P-C4'-P energy: -122.513
tors. eta vs tors. theta energy: -226.882
Dist. restrs. and SS energy: 1.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2581.443678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.443678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.943484 (E_RNA)
where:
Base-Base interactions energy: -1756.329
where: short stacking energy: -762.094
Base-Backbone interact. energy: -0.583
local terms energy: -827.030755
where:
bonds (distance) C4'-P energy: -150.300
bonds (distance) P-C4' energy: -158.679
flat angles C4'-P-C4' energy: -176.013
flat angles P-C4'-P energy: -117.454
tors. eta vs tors. theta energy: -224.584
Dist. restrs. and SS energy: 2.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2421.730035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.730035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.976264 (E_RNA)
where:
Base-Base interactions energy: -1633.441
where: short stacking energy: -711.399
Base-Backbone interact. energy: -3.918
local terms energy: -792.617629
where:
bonds (distance) C4'-P energy: -146.424
bonds (distance) P-C4' energy: -151.816
flat angles C4'-P-C4' energy: -182.502
flat angles P-C4'-P energy: -104.269
tors. eta vs tors. theta energy: -207.608
Dist. restrs. and SS energy: 8.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2301.643583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.643583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.907447 (E_RNA)
where:
Base-Base interactions energy: -1548.822
where: short stacking energy: -671.691
Base-Backbone interact. energy: 1.592
local terms energy: -756.677500
where:
bonds (distance) C4'-P energy: -151.528
bonds (distance) P-C4' energy: -151.869
flat angles C4'-P-C4' energy: -160.866
flat angles P-C4'-P energy: -111.223
tors. eta vs tors. theta energy: -181.191
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2195.935954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.935954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.719763 (E_RNA)
where:
Base-Base interactions energy: -1472.811
where: short stacking energy: -648.518
Base-Backbone interact. energy: -1.425
local terms energy: -723.483627
where:
bonds (distance) C4'-P energy: -143.466
bonds (distance) P-C4' energy: -128.841
flat angles C4'-P-C4' energy: -154.952
flat angles P-C4'-P energy: -108.304
tors. eta vs tors. theta energy: -187.921
Dist. restrs. and SS energy: 1.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2099.546359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.546359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.775912 (E_RNA)
where:
Base-Base interactions energy: -1398.042
where: short stacking energy: -615.237
Base-Backbone interact. energy: 1.431
local terms energy: -705.165125
where:
bonds (distance) C4'-P energy: -142.219
bonds (distance) P-C4' energy: -144.241
flat angles C4'-P-C4' energy: -152.612
flat angles P-C4'-P energy: -88.610
tors. eta vs tors. theta energy: -177.483
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2054.421968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.421968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.779402 (E_RNA)
where:
Base-Base interactions energy: -1388.622
where: short stacking energy: -602.495
Base-Backbone interact. energy: -2.409
local terms energy: -665.748074
where:
bonds (distance) C4'-P energy: -129.322
bonds (distance) P-C4' energy: -145.346
flat angles C4'-P-C4' energy: -142.526
flat angles P-C4'-P energy: -93.366
tors. eta vs tors. theta energy: -155.188
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: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1941.642188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.642188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.372277 (E_RNA)
where:
Base-Base interactions energy: -1329.505
where: short stacking energy: -562.744
Base-Backbone interact. energy: -0.448
local terms energy: -617.419360
where:
bonds (distance) C4'-P energy: -119.888
bonds (distance) P-C4' energy: -130.314
flat angles C4'-P-C4' energy: -148.753
flat angles P-C4'-P energy: -75.838
tors. eta vs tors. theta energy: -142.626
Dist. restrs. and SS energy: 5.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1842.718153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.718153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.944225 (E_RNA)
where:
Base-Base interactions energy: -1230.901
where: short stacking energy: -495.026
Base-Backbone interact. energy: 0.884
local terms energy: -615.926595
where:
bonds (distance) C4'-P energy: -122.025
bonds (distance) P-C4' energy: -161.252
flat angles C4'-P-C4' energy: -145.757
flat angles P-C4'-P energy: -67.326
tors. eta vs tors. theta energy: -119.567
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2771.972771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.972771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.850937 (E_RNA)
where:
Base-Base interactions energy: -1898.922
where: short stacking energy: -828.690
Base-Backbone interact. energy: -2.464
local terms energy: -873.464968
where:
bonds (distance) C4'-P energy: -160.798
bonds (distance) P-C4' energy: -165.093
flat angles C4'-P-C4' energy: -191.602
flat angles P-C4'-P energy: -129.717
tors. eta vs tors. theta energy: -226.255
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: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2651.961595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.961595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.738929 (E_RNA)
where:
Base-Base interactions energy: -1810.748
where: short stacking energy: -775.048
Base-Backbone interact. energy: -3.170
local terms energy: -838.820167
where:
bonds (distance) C4'-P energy: -157.675
bonds (distance) P-C4' energy: -158.723
flat angles C4'-P-C4' energy: -193.039
flat angles P-C4'-P energy: -114.641
tors. eta vs tors. theta energy: -214.741
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: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2593.996204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.996204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.453493 (E_RNA)
where:
Base-Base interactions energy: -1770.548
where: short stacking energy: -779.251
Base-Backbone interact. energy: 0.962
local terms energy: -826.867417
where:
bonds (distance) C4'-P energy: -143.053
bonds (distance) P-C4' energy: -154.346
flat angles C4'-P-C4' energy: -187.804
flat angles P-C4'-P energy: -118.571
tors. eta vs tors. theta energy: -223.093
Dist. restrs. and SS energy: 2.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2387.072528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.072528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.514324 (E_RNA)
where:
Base-Base interactions energy: -1589.346
where: short stacking energy: -667.542
Base-Backbone interact. energy: -2.785
local terms energy: -802.383830
where:
bonds (distance) C4'-P energy: -153.075
bonds (distance) P-C4' energy: -155.338
flat angles C4'-P-C4' energy: -171.393
flat angles P-C4'-P energy: -108.205
tors. eta vs tors. theta energy: -214.373
Dist. restrs. and SS energy: 7.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2271.881131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.012590 (E_RNA)
where:
Base-Base interactions energy: -1521.179
where: short stacking energy: -663.130
Base-Backbone interact. energy: -1.747
local terms energy: -751.086440
where:
bonds (distance) C4'-P energy: -145.315
bonds (distance) P-C4' energy: -148.683
flat angles C4'-P-C4' energy: -172.657
flat angles P-C4'-P energy: -103.077
tors. eta vs tors. theta energy: -181.355
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: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2176.401123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.401123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.404081 (E_RNA)
where:
Base-Base interactions energy: -1471.943
where: short stacking energy: -630.865
Base-Backbone interact. energy: 1.401
local terms energy: -707.861695
where:
bonds (distance) C4'-P energy: -132.883
bonds (distance) P-C4' energy: -123.174
flat angles C4'-P-C4' energy: -174.867
flat angles P-C4'-P energy: -89.900
tors. eta vs tors. theta energy: -187.038
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: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2080.304268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.304268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.048836 (E_RNA)
where:
Base-Base interactions energy: -1386.310
where: short stacking energy: -599.210
Base-Backbone interact. energy: -3.423
local terms energy: -692.316062
where:
bonds (distance) C4'-P energy: -149.080
bonds (distance) P-C4' energy: -131.583
flat angles C4'-P-C4' energy: -159.449
flat angles P-C4'-P energy: -100.408
tors. eta vs tors. theta energy: -151.796
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: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -2016.143295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.143295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.032231 (E_RNA)
where:
Base-Base interactions energy: -1344.513
where: short stacking energy: -545.052
Base-Backbone interact. energy: -2.878
local terms energy: -670.641278
where:
bonds (distance) C4'-P energy: -136.821
bonds (distance) P-C4' energy: -137.560
flat angles C4'-P-C4' energy: -157.181
flat angles P-C4'-P energy: -90.127
tors. eta vs tors. theta energy: -148.953
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: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1922.848702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.848702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.485715 (E_RNA)
where:
Base-Base interactions energy: -1332.928
where: short stacking energy: -570.755
Base-Backbone interact. energy: -0.865
local terms energy: -591.692676
where:
bonds (distance) C4'-P energy: -134.988
bonds (distance) P-C4' energy: -118.487
flat angles C4'-P-C4' energy: -129.421
flat angles P-C4'-P energy: -55.961
tors. eta vs tors. theta energy: -152.836
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1837.915098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.915098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.046560 (E_RNA)
where:
Base-Base interactions energy: -1290.960
where: short stacking energy: -520.101
Base-Backbone interact. energy: 14.847
local terms energy: -564.932991
where:
bonds (distance) C4'-P energy: -112.308
bonds (distance) P-C4' energy: -121.556
flat angles C4'-P-C4' energy: -130.576
flat angles P-C4'-P energy: -67.428
tors. eta vs tors. theta energy: -133.064
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2759.766820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.766820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.816998 (E_RNA)
where:
Base-Base interactions energy: -1878.976
where: short stacking energy: -846.456
Base-Backbone interact. energy: -2.485
local terms energy: -880.355545
where:
bonds (distance) C4'-P energy: -154.371
bonds (distance) P-C4' energy: -173.846
flat angles C4'-P-C4' energy: -188.438
flat angles P-C4'-P energy: -119.821
tors. eta vs tors. theta energy: -243.880
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: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2697.210379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.210379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.509989 (E_RNA)
where:
Base-Base interactions energy: -1866.273
where: short stacking energy: -807.741
Base-Backbone interact. energy: -2.084
local terms energy: -830.152307
where:
bonds (distance) C4'-P energy: -148.238
bonds (distance) P-C4' energy: -149.234
flat angles C4'-P-C4' energy: -186.075
flat angles P-C4'-P energy: -103.078
tors. eta vs tors. theta energy: -243.527
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: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2559.159320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.159320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.177925 (E_RNA)
where:
Base-Base interactions energy: -1747.596
where: short stacking energy: -758.274
Base-Backbone interact. energy: -1.225
local terms energy: -811.356951
where:
bonds (distance) C4'-P energy: -144.220
bonds (distance) P-C4' energy: -129.716
flat angles C4'-P-C4' energy: -171.408
flat angles P-C4'-P energy: -127.337
tors. eta vs tors. theta energy: -238.676
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2367.804593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.804593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.279404 (E_RNA)
where:
Base-Base interactions energy: -1572.488
where: short stacking energy: -723.839
Base-Backbone interact. energy: -2.234
local terms energy: -802.556993
where:
bonds (distance) C4'-P energy: -156.621
bonds (distance) P-C4' energy: -142.731
flat angles C4'-P-C4' energy: -179.022
flat angles P-C4'-P energy: -116.057
tors. eta vs tors. theta energy: -208.125
Dist. restrs. and SS energy: 9.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2235.895456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.895456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.937631 (E_RNA)
where:
Base-Base interactions energy: -1513.278
where: short stacking energy: -662.777
Base-Backbone interact. energy: 6.758
local terms energy: -731.417803
where:
bonds (distance) C4'-P energy: -135.935
bonds (distance) P-C4' energy: -144.415
flat angles C4'-P-C4' energy: -169.882
flat angles P-C4'-P energy: -102.221
tors. eta vs tors. theta energy: -178.966
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: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2150.175649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.175649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.926759 (E_RNA)
where:
Base-Base interactions energy: -1473.770
where: short stacking energy: -618.746
Base-Backbone interact. energy: -3.714
local terms energy: -674.442705
where:
bonds (distance) C4'-P energy: -139.411
bonds (distance) P-C4' energy: -149.746
flat angles C4'-P-C4' energy: -150.143
flat angles P-C4'-P energy: -79.479
tors. eta vs tors. theta energy: -155.664
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: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2140.882629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.882629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.442293 (E_RNA)
where:
Base-Base interactions energy: -1432.632
where: short stacking energy: -632.361
Base-Backbone interact. energy: 3.189
local terms energy: -713.999388
where:
bonds (distance) C4'-P energy: -136.339
bonds (distance) P-C4' energy: -144.960
flat angles C4'-P-C4' energy: -149.285
flat angles P-C4'-P energy: -97.975
tors. eta vs tors. theta energy: -185.441
Dist. restrs. and SS energy: 2.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1977.334810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.334810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.511564 (E_RNA)
where:
Base-Base interactions energy: -1346.976
where: short stacking energy: -566.655
Base-Backbone interact. energy: 0.217
local terms energy: -633.752910
where:
bonds (distance) C4'-P energy: -124.665
bonds (distance) P-C4' energy: -144.568
flat angles C4'-P-C4' energy: -144.282
flat angles P-C4'-P energy: -76.801
tors. eta vs tors. theta energy: -143.437
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: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1921.079355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.079355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.298765 (E_RNA)
where:
Base-Base interactions energy: -1309.979
where: short stacking energy: -546.344
Base-Backbone interact. energy: 6.697
local terms energy: -620.016409
where:
bonds (distance) C4'-P energy: -122.665
bonds (distance) P-C4' energy: -130.898
flat angles C4'-P-C4' energy: -144.959
flat angles P-C4'-P energy: -81.288
tors. eta vs tors. theta energy: -140.206
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1820.766523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.766523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.011118 (E_RNA)
where:
Base-Base interactions energy: -1219.446
where: short stacking energy: -515.859
Base-Backbone interact. energy: -0.707
local terms energy: -604.858115
where:
bonds (distance) C4'-P energy: -118.971
bonds (distance) P-C4' energy: -132.747
flat angles C4'-P-C4' energy: -141.544
flat angles P-C4'-P energy: -89.971
tors. eta vs tors. theta energy: -121.625
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: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2803.694459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.694459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.727798 (E_RNA)
where:
Base-Base interactions energy: -1923.382
where: short stacking energy: -861.211
Base-Backbone interact. energy: -3.730
local terms energy: -879.615969
where:
bonds (distance) C4'-P energy: -156.964
bonds (distance) P-C4' energy: -156.233
flat angles C4'-P-C4' energy: -188.899
flat angles P-C4'-P energy: -125.040
tors. eta vs tors. theta energy: -252.481
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2699.838572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.838572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.002622 (E_RNA)
where:
Base-Base interactions energy: -1854.205
where: short stacking energy: -802.891
Base-Backbone interact. energy: -3.667
local terms energy: -844.131224
where:
bonds (distance) C4'-P energy: -162.926
bonds (distance) P-C4' energy: -155.528
flat angles C4'-P-C4' energy: -175.261
flat angles P-C4'-P energy: -113.393
tors. eta vs tors. theta energy: -237.023
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: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2596.269415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.269415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.780534 (E_RNA)
where:
Base-Base interactions energy: -1774.116
where: short stacking energy: -757.437
Base-Backbone interact. energy: 0.151
local terms energy: -823.814920
where:
bonds (distance) C4'-P energy: -141.548
bonds (distance) P-C4' energy: -160.635
flat angles C4'-P-C4' energy: -172.539
flat angles P-C4'-P energy: -119.646
tors. eta vs tors. theta energy: -229.447
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: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2362.649990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.649990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.407980 (E_RNA)
where:
Base-Base interactions energy: -1603.801
where: short stacking energy: -700.352
Base-Backbone interact. energy: -3.760
local terms energy: -758.847239
where:
bonds (distance) C4'-P energy: -137.471
bonds (distance) P-C4' energy: -151.338
flat angles C4'-P-C4' energy: -170.172
flat angles P-C4'-P energy: -112.929
tors. eta vs tors. theta energy: -186.937
Dist. restrs. and SS energy: 3.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2255.061213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.061213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.768383 (E_RNA)
where:
Base-Base interactions energy: -1516.285
where: short stacking energy: -671.420
Base-Backbone interact. energy: -2.232
local terms energy: -739.251829
where:
bonds (distance) C4'-P energy: -140.515
bonds (distance) P-C4' energy: -143.352
flat angles C4'-P-C4' energy: -171.468
flat angles P-C4'-P energy: -94.226
tors. eta vs tors. theta energy: -189.691
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: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2133.524682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.524682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.881427 (E_RNA)
where:
Base-Base interactions energy: -1424.211
where: short stacking energy: -621.178
Base-Backbone interact. energy: -3.270
local terms energy: -707.399902
where:
bonds (distance) C4'-P energy: -133.613
bonds (distance) P-C4' energy: -141.384
flat angles C4'-P-C4' energy: -157.252
flat angles P-C4'-P energy: -102.933
tors. eta vs tors. theta energy: -172.219
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: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2129.507938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.507938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.784801 (E_RNA)
where:
Base-Base interactions energy: -1454.969
where: short stacking energy: -612.034
Base-Backbone interact. energy: -0.693
local terms energy: -676.122681
where:
bonds (distance) C4'-P energy: -135.707
bonds (distance) P-C4' energy: -141.127
flat angles C4'-P-C4' energy: -136.227
flat angles P-C4'-P energy: -92.298
tors. eta vs tors. theta energy: -170.763
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: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2002.795283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.795283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.972814 (E_RNA)
where:
Base-Base interactions energy: -1347.091
where: short stacking energy: -578.040
Base-Backbone interact. energy: 4.056
local terms energy: -662.937375
where:
bonds (distance) C4'-P energy: -134.292
bonds (distance) P-C4' energy: -136.955
flat angles C4'-P-C4' energy: -151.753
flat angles P-C4'-P energy: -91.267
tors. eta vs tors. theta energy: -148.671
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: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1974.665647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.665647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.956635 (E_RNA)
where:
Base-Base interactions energy: -1340.582
where: short stacking energy: -564.687
Base-Backbone interact. energy: 0.665
local terms energy: -637.040459
where:
bonds (distance) C4'-P energy: -103.142
bonds (distance) P-C4' energy: -141.978
flat angles C4'-P-C4' energy: -159.218
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: -148.539
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1826.711528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.711528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.336132 (E_RNA)
where:
Base-Base interactions energy: -1235.637
where: short stacking energy: -507.340
Base-Backbone interact. energy: -1.483
local terms energy: -592.215893
where:
bonds (distance) C4'-P energy: -119.113
bonds (distance) P-C4' energy: -109.344
flat angles C4'-P-C4' energy: -140.544
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -133.000
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: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2798.276335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.276335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.578006 (E_RNA)
where:
Base-Base interactions energy: -1905.900
where: short stacking energy: -839.672
Base-Backbone interact. energy: 0.380
local terms energy: -896.058131
where:
bonds (distance) C4'-P energy: -164.104
bonds (distance) P-C4' energy: -167.552
flat angles C4'-P-C4' energy: -191.983
flat angles P-C4'-P energy: -130.932
tors. eta vs tors. theta energy: -241.487
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: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2658.112092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.112092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.650280 (E_RNA)
where:
Base-Base interactions energy: -1818.726
where: short stacking energy: -780.164
Base-Backbone interact. energy: -4.357
local terms energy: -836.567258
where:
bonds (distance) C4'-P energy: -144.057
bonds (distance) P-C4' energy: -146.758
flat angles C4'-P-C4' energy: -170.881
flat angles P-C4'-P energy: -133.924
tors. eta vs tors. theta energy: -240.947
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: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2611.543086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.762819 (E_RNA)
where:
Base-Base interactions energy: -1764.099
where: short stacking energy: -767.269
Base-Backbone interact. energy: -0.329
local terms energy: -849.334292
where:
bonds (distance) C4'-P energy: -165.000
bonds (distance) P-C4' energy: -155.550
flat angles C4'-P-C4' energy: -185.192
flat angles P-C4'-P energy: -120.755
tors. eta vs tors. theta energy: -222.838
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2380.749335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.749335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.623932 (E_RNA)
where:
Base-Base interactions energy: -1587.638
where: short stacking energy: -706.539
Base-Backbone interact. energy: -0.828
local terms energy: -798.157403
where:
bonds (distance) C4'-P energy: -162.882
bonds (distance) P-C4' energy: -159.367
flat angles C4'-P-C4' energy: -162.697
flat angles P-C4'-P energy: -99.059
tors. eta vs tors. theta energy: -214.153
Dist. restrs. and SS energy: 5.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2313.131216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.131216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.461883 (E_RNA)
where:
Base-Base interactions energy: -1564.221
where: short stacking energy: -719.855
Base-Backbone interact. energy: -3.612
local terms energy: -747.628453
where:
bonds (distance) C4'-P energy: -145.373
bonds (distance) P-C4' energy: -136.136
flat angles C4'-P-C4' energy: -153.534
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -213.964
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2142.212601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.212601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.521857 (E_RNA)
where:
Base-Base interactions energy: -1443.515
where: short stacking energy: -649.626
Base-Backbone interact. energy: -0.386
local terms energy: -700.621249
where:
bonds (distance) C4'-P energy: -134.103
bonds (distance) P-C4' energy: -133.738
flat angles C4'-P-C4' energy: -169.249
flat angles P-C4'-P energy: -86.684
tors. eta vs tors. theta energy: -176.847
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2051.863500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.863500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.272344 (E_RNA)
where:
Base-Base interactions energy: -1373.676
where: short stacking energy: -607.464
Base-Backbone interact. energy: 0.506
local terms energy: -681.102581
where:
bonds (distance) C4'-P energy: -139.865
bonds (distance) P-C4' energy: -120.742
flat angles C4'-P-C4' energy: -148.821
flat angles P-C4'-P energy: -98.189
tors. eta vs tors. theta energy: -173.486
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2024.846479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.846479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.455381 (E_RNA)
where:
Base-Base interactions energy: -1334.753
where: short stacking energy: -551.148
Base-Backbone interact. energy: -2.251
local terms energy: -690.451766
where:
bonds (distance) C4'-P energy: -150.174
bonds (distance) P-C4' energy: -147.296
flat angles C4'-P-C4' energy: -135.351
flat angles P-C4'-P energy: -111.725
tors. eta vs tors. theta energy: -145.906
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1972.852515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.852515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.376728 (E_RNA)
where:
Base-Base interactions energy: -1339.302
where: short stacking energy: -560.126
Base-Backbone interact. energy: 2.620
local terms energy: -638.694813
where:
bonds (distance) C4'-P energy: -126.540
bonds (distance) P-C4' energy: -120.118
flat angles C4'-P-C4' energy: -140.135
flat angles P-C4'-P energy: -93.166
tors. eta vs tors. theta energy: -158.735
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1848.355946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.355946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.943562 (E_RNA)
where:
Base-Base interactions energy: -1260.173
where: short stacking energy: -537.829
Base-Backbone interact. energy: -0.325
local terms energy: -590.445429
where:
bonds (distance) C4'-P energy: -114.132
bonds (distance) P-C4' energy: -122.028
flat angles C4'-P-C4' energy: -142.704
flat angles P-C4'-P energy: -91.269
tors. eta vs tors. theta energy: -120.313
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: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2771.580044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.580044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.887498 (E_RNA)
where:
Base-Base interactions energy: -1888.858
where: short stacking energy: -856.821
Base-Backbone interact. energy: 2.040
local terms energy: -887.069642
where:
bonds (distance) C4'-P energy: -153.687
bonds (distance) P-C4' energy: -172.217
flat angles C4'-P-C4' energy: -189.232
flat angles P-C4'-P energy: -133.596
tors. eta vs tors. theta energy: -238.337
Dist. restrs. and SS energy: 2.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2729.470769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.470769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.932492 (E_RNA)
where:
Base-Base interactions energy: -1873.338
where: short stacking energy: -813.524
Base-Backbone interact. energy: 1.866
local terms energy: -859.461272
where:
bonds (distance) C4'-P energy: -154.630
bonds (distance) P-C4' energy: -166.285
flat angles C4'-P-C4' energy: -175.991
flat angles P-C4'-P energy: -121.670
tors. eta vs tors. theta energy: -240.886
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: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2563.841457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.841457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.125133 (E_RNA)
where:
Base-Base interactions energy: -1759.822
where: short stacking energy: -754.027
Base-Backbone interact. energy: -5.500
local terms energy: -800.803613
where:
bonds (distance) C4'-P energy: -149.965
bonds (distance) P-C4' energy: -145.817
flat angles C4'-P-C4' energy: -186.854
flat angles P-C4'-P energy: -99.563
tors. eta vs tors. theta energy: -218.605
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2330.398493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.398493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.449044 (E_RNA)
where:
Base-Base interactions energy: -1571.456
where: short stacking energy: -677.209
Base-Backbone interact. energy: -0.035
local terms energy: -766.958794
where:
bonds (distance) C4'-P energy: -157.500
bonds (distance) P-C4' energy: -146.444
flat angles C4'-P-C4' energy: -162.653
flat angles P-C4'-P energy: -109.646
tors. eta vs tors. theta energy: -190.716
Dist. restrs. and SS energy: 8.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2313.341943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.341943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.968355 (E_RNA)
where:
Base-Base interactions energy: -1552.010
where: short stacking energy: -685.026
Base-Backbone interact. energy: 1.775
local terms energy: -764.733104
where:
bonds (distance) C4'-P energy: -146.014
bonds (distance) P-C4' energy: -157.991
flat angles C4'-P-C4' energy: -170.342
flat angles P-C4'-P energy: -101.150
tors. eta vs tors. theta energy: -189.236
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: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2146.568923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.568923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.982641 (E_RNA)
where:
Base-Base interactions energy: -1453.842
where: short stacking energy: -636.140
Base-Backbone interact. energy: 3.498
local terms energy: -697.638625
where:
bonds (distance) C4'-P energy: -150.996
bonds (distance) P-C4' energy: -130.595
flat angles C4'-P-C4' energy: -149.370
flat angles P-C4'-P energy: -104.963
tors. eta vs tors. theta energy: -161.715
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: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2059.108386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.108386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.003648 (E_RNA)
where:
Base-Base interactions energy: -1402.975
where: short stacking energy: -596.424
Base-Backbone interact. energy: -3.388
local terms energy: -654.640943
where:
bonds (distance) C4'-P energy: -119.777
bonds (distance) P-C4' energy: -144.164
flat angles C4'-P-C4' energy: -148.481
flat angles P-C4'-P energy: -90.361
tors. eta vs tors. theta energy: -151.857
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2004.130618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.130618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.282345 (E_RNA)
where:
Base-Base interactions energy: -1352.724
where: short stacking energy: -560.150
Base-Backbone interact. energy: -3.438
local terms energy: -651.119824
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -134.720
flat angles C4'-P-C4' energy: -147.314
flat angles P-C4'-P energy: -102.177
tors. eta vs tors. theta energy: -147.301
Dist. restrs. and SS energy: 3.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1920.221631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.221631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.228633 (E_RNA)
where:
Base-Base interactions energy: -1270.948
where: short stacking energy: -533.774
Base-Backbone interact. energy: 0.964
local terms energy: -652.244222
where:
bonds (distance) C4'-P energy: -137.660
bonds (distance) P-C4' energy: -134.814
flat angles C4'-P-C4' energy: -139.717
flat angles P-C4'-P energy: -96.708
tors. eta vs tors. theta energy: -143.345
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1808.477464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.477464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.421988 (E_RNA)
where:
Base-Base interactions energy: -1242.768
where: short stacking energy: -510.226
Base-Backbone interact. energy: -3.427
local terms energy: -566.226362
where:
bonds (distance) C4'-P energy: -120.658
bonds (distance) P-C4' energy: -137.751
flat angles C4'-P-C4' energy: -119.325
flat angles P-C4'-P energy: -60.450
tors. eta vs tors. theta energy: -128.043
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2734.002458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.002458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.443759 (E_RNA)
where:
Base-Base interactions energy: -1869.223
where: short stacking energy: -794.784
Base-Backbone interact. energy: -3.611
local terms energy: -863.609704
where:
bonds (distance) C4'-P energy: -162.754
bonds (distance) P-C4' energy: -165.779
flat angles C4'-P-C4' energy: -181.232
flat angles P-C4'-P energy: -122.974
tors. eta vs tors. theta energy: -230.871
Dist. restrs. and SS energy: 2.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2734.814548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.814548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.231717 (E_RNA)
where:
Base-Base interactions energy: -1877.126
where: short stacking energy: -804.049
Base-Backbone interact. energy: -3.791
local terms energy: -855.314865
where:
bonds (distance) C4'-P energy: -140.127
bonds (distance) P-C4' energy: -161.724
flat angles C4'-P-C4' energy: -184.776
flat angles P-C4'-P energy: -124.294
tors. eta vs tors. theta energy: -244.393
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2570.421379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.421379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.294448 (E_RNA)
where:
Base-Base interactions energy: -1754.579
where: short stacking energy: -784.928
Base-Backbone interact. energy: -2.117
local terms energy: -814.598485
where:
bonds (distance) C4'-P energy: -157.327
bonds (distance) P-C4' energy: -149.165
flat angles C4'-P-C4' energy: -175.231
flat angles P-C4'-P energy: -104.054
tors. eta vs tors. theta energy: -228.821
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: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2370.420899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.420899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.357277 (E_RNA)
where:
Base-Base interactions energy: -1600.156
where: short stacking energy: -711.603
Base-Backbone interact. energy: -0.283
local terms energy: -777.917805
where:
bonds (distance) C4'-P energy: -127.557
bonds (distance) P-C4' energy: -162.681
flat angles C4'-P-C4' energy: -163.291
flat angles P-C4'-P energy: -115.612
tors. eta vs tors. theta energy: -208.776
Dist. restrs. and SS energy: 7.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2319.179891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.179891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.903152 (E_RNA)
where:
Base-Base interactions energy: -1554.632
where: short stacking energy: -698.826
Base-Backbone interact. energy: 3.374
local terms energy: -771.644875
where:
bonds (distance) C4'-P energy: -159.503
bonds (distance) P-C4' energy: -156.939
flat angles C4'-P-C4' energy: -156.029
flat angles P-C4'-P energy: -87.400
tors. eta vs tors. theta energy: -211.773
Dist. restrs. and SS energy: 3.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2138.012138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.012138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.697504 (E_RNA)
where:
Base-Base interactions energy: -1431.082
where: short stacking energy: -633.324
Base-Backbone interact. energy: -2.306
local terms energy: -706.309102
where:
bonds (distance) C4'-P energy: -147.619
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -167.302
flat angles P-C4'-P energy: -103.622
tors. eta vs tors. theta energy: -171.110
Dist. restrs. and SS energy: 1.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2084.677476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.677476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.280480 (E_RNA)
where:
Base-Base interactions energy: -1405.207
where: short stacking energy: -614.869
Base-Backbone interact. energy: -0.308
local terms energy: -681.765092
where:
bonds (distance) C4'-P energy: -136.295
bonds (distance) P-C4' energy: -137.198
flat angles C4'-P-C4' energy: -150.602
flat angles P-C4'-P energy: -87.765
tors. eta vs tors. theta energy: -169.906
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: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1996.723008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.723008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.821499 (E_RNA)
where:
Base-Base interactions energy: -1331.208
where: short stacking energy: -590.005
Base-Backbone interact. energy: 2.738
local terms energy: -672.351904
where:
bonds (distance) C4'-P energy: -151.038
bonds (distance) P-C4' energy: -119.532
flat angles C4'-P-C4' energy: -166.537
flat angles P-C4'-P energy: -83.783
tors. eta vs tors. theta energy: -151.463
Dist. restrs. and SS energy: 4.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1920.395094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.395094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.587263 (E_RNA)
where:
Base-Base interactions energy: -1318.746
where: short stacking energy: -558.620
Base-Backbone interact. energy: -1.938
local terms energy: -602.903183
where:
bonds (distance) C4'-P energy: -111.514
bonds (distance) P-C4' energy: -141.585
flat angles C4'-P-C4' energy: -136.977
flat angles P-C4'-P energy: -77.954
tors. eta vs tors. theta energy: -134.873
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1799.958071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.958071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.613295 (E_RNA)
where:
Base-Base interactions energy: -1239.577
where: short stacking energy: -511.445
Base-Backbone interact. energy: 4.912
local terms energy: -569.949014
where:
bonds (distance) C4'-P energy: -119.544
bonds (distance) P-C4' energy: -140.248
flat angles C4'-P-C4' energy: -113.128
flat angles P-C4'-P energy: -81.667
tors. eta vs tors. theta energy: -115.362
Dist. restrs. and SS energy: 4.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2770.104716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.104716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.296426 (E_RNA)
where:
Base-Base interactions energy: -1888.080
where: short stacking energy: -826.738
Base-Backbone interact. energy: -2.816
local terms energy: -881.400673
where:
bonds (distance) C4'-P energy: -163.689
bonds (distance) P-C4' energy: -157.729
flat angles C4'-P-C4' energy: -192.131
flat angles P-C4'-P energy: -132.641
tors. eta vs tors. theta energy: -235.211
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2731.288028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.288028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.264914 (E_RNA)
where:
Base-Base interactions energy: -1869.237
where: short stacking energy: -814.236
Base-Backbone interact. energy: -3.821
local terms energy: -860.206772
where:
bonds (distance) C4'-P energy: -144.869
bonds (distance) P-C4' energy: -153.513
flat angles C4'-P-C4' energy: -179.248
flat angles P-C4'-P energy: -137.762
tors. eta vs tors. theta energy: -244.814
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2616.910044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.910044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.923088 (E_RNA)
where:
Base-Base interactions energy: -1749.094
where: short stacking energy: -733.076
Base-Backbone interact. energy: -3.247
local terms energy: -865.582332
where:
bonds (distance) C4'-P energy: -160.622
bonds (distance) P-C4' energy: -164.588
flat angles C4'-P-C4' energy: -178.511
flat angles P-C4'-P energy: -130.061
tors. eta vs tors. theta energy: -231.801
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: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2351.812282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.812282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.304063 (E_RNA)
where:
Base-Base interactions energy: -1601.971
where: short stacking energy: -685.722
Base-Backbone interact. energy: -2.864
local terms energy: -750.468560
where:
bonds (distance) C4'-P energy: -122.930
bonds (distance) P-C4' energy: -156.722
flat angles C4'-P-C4' energy: -171.437
flat angles P-C4'-P energy: -100.317
tors. eta vs tors. theta energy: -199.063
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2290.690387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.690387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.344049 (E_RNA)
where:
Base-Base interactions energy: -1531.160
where: short stacking energy: -685.646
Base-Backbone interact. energy: 1.150
local terms energy: -764.334293
where:
bonds (distance) C4'-P energy: -152.868
bonds (distance) P-C4' energy: -170.055
flat angles C4'-P-C4' energy: -167.512
flat angles P-C4'-P energy: -87.443
tors. eta vs tors. theta energy: -186.457
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2162.540917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.540917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.759206 (E_RNA)
where:
Base-Base interactions energy: -1465.674
where: short stacking energy: -645.731
Base-Backbone interact. energy: -0.510
local terms energy: -699.575155
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -144.693
flat angles C4'-P-C4' energy: -162.597
flat angles P-C4'-P energy: -92.763
tors. eta vs tors. theta energy: -172.249
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: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2101.963781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.963781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.866167 (E_RNA)
where:
Base-Base interactions energy: -1421.095
where: short stacking energy: -602.116
Base-Backbone interact. energy: 0.621
local terms energy: -682.392156
where:
bonds (distance) C4'-P energy: -131.390
bonds (distance) P-C4' energy: -130.568
flat angles C4'-P-C4' energy: -165.926
flat angles P-C4'-P energy: -94.167
tors. eta vs tors. theta energy: -160.342
Dist. restrs. and SS energy: 0.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1977.053343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.053343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.248109 (E_RNA)
where:
Base-Base interactions energy: -1332.013
where: short stacking energy: -571.144
Base-Backbone interact. energy: -3.765
local terms energy: -644.470470
where:
bonds (distance) C4'-P energy: -106.732
bonds (distance) P-C4' energy: -129.270
flat angles C4'-P-C4' energy: -164.530
flat angles P-C4'-P energy: -90.433
tors. eta vs tors. theta energy: -153.505
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: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1945.004053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.004053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.464100 (E_RNA)
where:
Base-Base interactions energy: -1310.234
where: short stacking energy: -542.870
Base-Backbone interact. energy: -1.429
local terms energy: -635.800215
where:
bonds (distance) C4'-P energy: -120.510
bonds (distance) P-C4' energy: -137.492
flat angles C4'-P-C4' energy: -149.333
flat angles P-C4'-P energy: -81.689
tors. eta vs tors. theta energy: -146.776
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: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1835.592279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.592279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.830808 (E_RNA)
where:
Base-Base interactions energy: -1235.446
where: short stacking energy: -499.224
Base-Backbone interact. energy: 5.830
local terms energy: -608.215467
where:
bonds (distance) C4'-P energy: -133.597
bonds (distance) P-C4' energy: -122.776
flat angles C4'-P-C4' energy: -142.985
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -119.831
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: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2765.088524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.088524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.365509 (E_RNA)
where:
Base-Base interactions energy: -1894.138
where: short stacking energy: -804.093
Base-Backbone interact. energy: -3.504
local terms energy: -868.723793
where:
bonds (distance) C4'-P energy: -160.553
bonds (distance) P-C4' energy: -154.382
flat angles C4'-P-C4' energy: -181.805
flat angles P-C4'-P energy: -135.780
tors. eta vs tors. theta energy: -236.204
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2741.981017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.981017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.472081 (E_RNA)
where:
Base-Base interactions energy: -1888.514
where: short stacking energy: -810.079
Base-Backbone interact. energy: 0.404
local terms energy: -856.361934
where:
bonds (distance) C4'-P energy: -173.097
bonds (distance) P-C4' energy: -158.302
flat angles C4'-P-C4' energy: -169.826
flat angles P-C4'-P energy: -119.232
tors. eta vs tors. theta energy: -235.905
Dist. restrs. and SS energy: 2.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2574.334116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.334116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.854426 (E_RNA)
where:
Base-Base interactions energy: -1752.181
where: short stacking energy: -724.628
Base-Backbone interact. energy: -3.420
local terms energy: -820.253711
where:
bonds (distance) C4'-P energy: -154.417
bonds (distance) P-C4' energy: -159.420
flat angles C4'-P-C4' energy: -173.331
flat angles P-C4'-P energy: -120.610
tors. eta vs tors. theta energy: -212.476
Dist. restrs. and SS energy: 1.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2327.952909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.952909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.415790 (E_RNA)
where:
Base-Base interactions energy: -1563.219
where: short stacking energy: -675.555
Base-Backbone interact. energy: -1.047
local terms energy: -767.150255
where:
bonds (distance) C4'-P energy: -158.269
bonds (distance) P-C4' energy: -153.809
flat angles C4'-P-C4' energy: -163.456
flat angles P-C4'-P energy: -103.162
tors. eta vs tors. theta energy: -188.455
Dist. restrs. and SS energy: 3.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2276.576616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.576616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.692193 (E_RNA)
where:
Base-Base interactions energy: -1513.724
where: short stacking energy: -663.318
Base-Backbone interact. energy: -4.429
local terms energy: -761.539172
where:
bonds (distance) C4'-P energy: -139.579
bonds (distance) P-C4' energy: -157.495
flat angles C4'-P-C4' energy: -164.785
flat angles P-C4'-P energy: -102.203
tors. eta vs tors. theta energy: -197.478
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: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2173.478646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.478646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.905333 (E_RNA)
where:
Base-Base interactions energy: -1477.132
where: short stacking energy: -654.932
Base-Backbone interact. energy: 6.776
local terms energy: -706.548794
where:
bonds (distance) C4'-P energy: -131.919
bonds (distance) P-C4' energy: -148.116
flat angles C4'-P-C4' energy: -156.643
flat angles P-C4'-P energy: -94.489
tors. eta vs tors. theta energy: -175.382
Dist. restrs. and SS energy: 3.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2133.906467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.906467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.095028 (E_RNA)
where:
Base-Base interactions energy: -1429.882
where: short stacking energy: -619.947
Base-Backbone interact. energy: 0.539
local terms energy: -706.751953
where:
bonds (distance) C4'-P energy: -139.152
bonds (distance) P-C4' energy: -134.352
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -117.558
tors. eta vs tors. theta energy: -172.799
Dist. restrs. and SS energy: 2.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1996.051667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.051667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.496100 (E_RNA)
where:
Base-Base interactions energy: -1363.612
where: short stacking energy: -570.449
Base-Backbone interact. energy: 2.702
local terms energy: -636.585560
where:
bonds (distance) C4'-P energy: -140.431
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -150.315
flat angles P-C4'-P energy: -92.001
tors. eta vs tors. theta energy: -131.966
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: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1928.324798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.324798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.886684 (E_RNA)
where:
Base-Base interactions energy: -1306.573
where: short stacking energy: -571.032
Base-Backbone interact. energy: -3.173
local terms energy: -622.140488
where:
bonds (distance) C4'-P energy: -129.680
bonds (distance) P-C4' energy: -126.197
flat angles C4'-P-C4' energy: -142.520
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -140.002
Dist. restrs. and SS energy: 3.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1822.862335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.862335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.734565 (E_RNA)
where:
Base-Base interactions energy: -1247.493
where: short stacking energy: -524.836
Base-Backbone interact. energy: 4.020
local terms energy: -585.261532
where:
bonds (distance) C4'-P energy: -89.467
bonds (distance) P-C4' energy: -144.123
flat angles C4'-P-C4' energy: -124.682
flat angles P-C4'-P energy: -79.028
tors. eta vs tors. theta energy: -147.962
Dist. restrs. and SS energy: 5.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2785.585537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.585537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.163048 (E_RNA)
where:
Base-Base interactions energy: -1920.642
where: short stacking energy: -852.965
Base-Backbone interact. energy: -4.141
local terms energy: -863.379715
where:
bonds (distance) C4'-P energy: -157.078
bonds (distance) P-C4' energy: -153.097
flat angles C4'-P-C4' energy: -174.935
flat angles P-C4'-P energy: -141.885
tors. eta vs tors. theta energy: -236.385
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: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2729.882447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.882447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.364164 (E_RNA)
where:
Base-Base interactions energy: -1862.079
where: short stacking energy: -789.227
Base-Backbone interact. energy: -3.513
local terms energy: -865.772155
where:
bonds (distance) C4'-P energy: -147.880
bonds (distance) P-C4' energy: -167.344
flat angles C4'-P-C4' energy: -173.372
flat angles P-C4'-P energy: -126.811
tors. eta vs tors. theta energy: -250.365
Dist. restrs. and SS energy: 1.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2624.847811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.847811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.686483 (E_RNA)
where:
Base-Base interactions energy: -1834.874
where: short stacking energy: -762.446
Base-Backbone interact. energy: 1.552
local terms energy: -793.364239
where:
bonds (distance) C4'-P energy: -126.309
bonds (distance) P-C4' energy: -158.506
flat angles C4'-P-C4' energy: -166.380
flat angles P-C4'-P energy: -119.060
tors. eta vs tors. theta energy: -223.110
Dist. restrs. and SS energy: 1.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2306.461495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.461495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.104302 (E_RNA)
where:
Base-Base interactions energy: -1548.287
where: short stacking energy: -656.277
Base-Backbone interact. energy: -0.607
local terms energy: -760.210687
where:
bonds (distance) C4'-P energy: -170.160
bonds (distance) P-C4' energy: -140.485
flat angles C4'-P-C4' energy: -167.562
flat angles P-C4'-P energy: -107.162
tors. eta vs tors. theta energy: -174.842
Dist. restrs. and SS energy: 2.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2294.949583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.949583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.755434 (E_RNA)
where:
Base-Base interactions energy: -1527.848
where: short stacking energy: -676.690
Base-Backbone interact. energy: -1.865
local terms energy: -768.042392
where:
bonds (distance) C4'-P energy: -141.478
bonds (distance) P-C4' energy: -155.046
flat angles C4'-P-C4' energy: -170.652
flat angles P-C4'-P energy: -108.976
tors. eta vs tors. theta energy: -191.891
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: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2183.885260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.885260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.891716 (E_RNA)
where:
Base-Base interactions energy: -1482.340
where: short stacking energy: -652.568
Base-Backbone interact. energy: -2.701
local terms energy: -700.850531
where:
bonds (distance) C4'-P energy: -137.173
bonds (distance) P-C4' energy: -127.672
flat angles C4'-P-C4' energy: -149.456
flat angles P-C4'-P energy: -106.116
tors. eta vs tors. theta energy: -180.433
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: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2148.928171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.928171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.458581 (E_RNA)
where:
Base-Base interactions energy: -1445.406
where: short stacking energy: -620.421
Base-Backbone interact. energy: -5.120
local terms energy: -700.933265
where:
bonds (distance) C4'-P energy: -120.246
bonds (distance) P-C4' energy: -139.691
flat angles C4'-P-C4' energy: -169.104
flat angles P-C4'-P energy: -98.564
tors. eta vs tors. theta energy: -173.329
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: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1958.088086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.088086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.139872 (E_RNA)
where:
Base-Base interactions energy: -1359.088
where: short stacking energy: -571.175
Base-Backbone interact. energy: -0.987
local terms energy: -601.064277
where:
bonds (distance) C4'-P energy: -109.706
bonds (distance) P-C4' energy: -131.589
flat angles C4'-P-C4' energy: -139.171
flat angles P-C4'-P energy: -74.884
tors. eta vs tors. theta energy: -145.715
Dist. restrs. and SS energy: 3.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1905.016092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.016092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.580983 (E_RNA)
where:
Base-Base interactions energy: -1297.241
where: short stacking energy: -530.879
Base-Backbone interact. energy: 2.415
local terms energy: -612.755441
where:
bonds (distance) C4'-P energy: -120.751
bonds (distance) P-C4' energy: -135.761
flat angles C4'-P-C4' energy: -147.349
flat angles P-C4'-P energy: -75.526
tors. eta vs tors. theta energy: -133.369
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1854.893760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.893760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.857898 (E_RNA)
where:
Base-Base interactions energy: -1235.520
where: short stacking energy: -527.896
Base-Backbone interact. energy: -0.975
local terms energy: -622.362921
where:
bonds (distance) C4'-P energy: -117.419
bonds (distance) P-C4' energy: -139.226
flat angles C4'-P-C4' energy: -144.440
flat angles P-C4'-P energy: -98.481
tors. eta vs tors. theta energy: -122.796
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: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2740.246136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.246136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.322600 (E_RNA)
where:
Base-Base interactions energy: -1861.142
where: short stacking energy: -809.970
Base-Backbone interact. energy: -3.540
local terms energy: -877.639929
where:
bonds (distance) C4'-P energy: -171.340
bonds (distance) P-C4' energy: -167.647
flat angles C4'-P-C4' energy: -185.723
flat angles P-C4'-P energy: -123.541
tors. eta vs tors. theta energy: -229.389
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: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2761.639778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.639778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.435855 (E_RNA)
where:
Base-Base interactions energy: -1891.504
where: short stacking energy: -796.999
Base-Backbone interact. energy: -2.704
local terms energy: -869.227170
where:
bonds (distance) C4'-P energy: -150.444
bonds (distance) P-C4' energy: -145.760
flat angles C4'-P-C4' energy: -197.126
flat angles P-C4'-P energy: -126.107
tors. eta vs tors. theta energy: -249.791
Dist. restrs. and SS energy: 1.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2647.880274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.880274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.954142 (E_RNA)
where:
Base-Base interactions energy: -1810.365
where: short stacking energy: -773.421
Base-Backbone interact. energy: -3.634
local terms energy: -835.954794
where:
bonds (distance) C4'-P energy: -158.241
bonds (distance) P-C4' energy: -143.331
flat angles C4'-P-C4' energy: -181.144
flat angles P-C4'-P energy: -124.558
tors. eta vs tors. theta energy: -228.680
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: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2374.323919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.323919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.529857 (E_RNA)
where:
Base-Base interactions energy: -1590.742
where: short stacking energy: -714.809
Base-Backbone interact. energy: -1.418
local terms energy: -784.369364
where:
bonds (distance) C4'-P energy: -145.596
bonds (distance) P-C4' energy: -168.184
flat angles C4'-P-C4' energy: -170.753
flat angles P-C4'-P energy: -110.852
tors. eta vs tors. theta energy: -188.984
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: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2278.797047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.797047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.216744 (E_RNA)
where:
Base-Base interactions energy: -1544.707
where: short stacking energy: -657.336
Base-Backbone interact. energy: 4.987
local terms energy: -745.496903
where:
bonds (distance) C4'-P energy: -130.534
bonds (distance) P-C4' energy: -154.297
flat angles C4'-P-C4' energy: -153.307
flat angles P-C4'-P energy: -121.967
tors. eta vs tors. theta energy: -185.392
Dist. restrs. and SS energy: 6.420 (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: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2149.024469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.024469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.553164 (E_RNA)
where:
Base-Base interactions energy: -1458.821
where: short stacking energy: -616.672
Base-Backbone interact. energy: 3.302
local terms energy: -696.034809
where:
bonds (distance) C4'-P energy: -122.879
bonds (distance) P-C4' energy: -142.737
flat angles C4'-P-C4' energy: -158.740
flat angles P-C4'-P energy: -106.054
tors. eta vs tors. theta energy: -165.625
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: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2075.477006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.477006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.128030 (E_RNA)
where:
Base-Base interactions energy: -1381.849
where: short stacking energy: -599.755
Base-Backbone interact. energy: -2.156
local terms energy: -693.123551
where:
bonds (distance) C4'-P energy: -124.623
bonds (distance) P-C4' energy: -144.629
flat angles C4'-P-C4' energy: -161.104
flat angles P-C4'-P energy: -105.252
tors. eta vs tors. theta energy: -157.515
Dist. restrs. and SS energy: 1.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -2003.032783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.032783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.448271 (E_RNA)
where:
Base-Base interactions energy: -1368.150
where: short stacking energy: -581.532
Base-Backbone interact. energy: 5.379
local terms energy: -642.677253
where:
bonds (distance) C4'-P energy: -106.926
bonds (distance) P-C4' energy: -128.143
flat angles C4'-P-C4' energy: -168.658
flat angles P-C4'-P energy: -101.070
tors. eta vs tors. theta energy: -137.880
Dist. restrs. and SS energy: 2.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1873.747620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.747620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.481081 (E_RNA)
where:
Base-Base interactions energy: -1263.990
where: short stacking energy: -529.690
Base-Backbone interact. energy: -1.674
local terms energy: -613.816253
where:
bonds (distance) C4'-P energy: -121.278
bonds (distance) P-C4' energy: -134.889
flat angles C4'-P-C4' energy: -133.188
flat angles P-C4'-P energy: -99.328
tors. eta vs tors. theta energy: -125.132
Dist. restrs. and SS energy: 5.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1849.097448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.097448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.745969 (E_RNA)
where:
Base-Base interactions energy: -1266.410
where: short stacking energy: -531.674
Base-Backbone interact. energy: 0.798
local terms energy: -588.133750
where:
bonds (distance) C4'-P energy: -111.698
bonds (distance) P-C4' energy: -137.302
flat angles C4'-P-C4' energy: -135.556
flat angles P-C4'-P energy: -85.728
tors. eta vs tors. theta energy: -117.849
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2774.118825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.118825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.887299 (E_RNA)
where:
Base-Base interactions energy: -1919.242
where: short stacking energy: -848.051
Base-Backbone interact. energy: -2.807
local terms energy: -854.838286
where:
bonds (distance) C4'-P energy: -162.707
bonds (distance) P-C4' energy: -146.232
flat angles C4'-P-C4' energy: -179.865
flat angles P-C4'-P energy: -128.006
tors. eta vs tors. theta energy: -238.028
Dist. restrs. and SS energy: 2.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2753.616438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.616438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.572626 (E_RNA)
where:
Base-Base interactions energy: -1861.839
where: short stacking energy: -813.148
Base-Backbone interact. energy: -1.225
local terms energy: -891.508775
where:
bonds (distance) C4'-P energy: -151.332
bonds (distance) P-C4' energy: -176.781
flat angles C4'-P-C4' energy: -195.700
flat angles P-C4'-P energy: -117.857
tors. eta vs tors. theta energy: -249.839
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2582.736689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.736689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.256639 (E_RNA)
where:
Base-Base interactions energy: -1767.728
where: short stacking energy: -747.148
Base-Backbone interact. energy: -1.374
local terms energy: -815.154895
where:
bonds (distance) C4'-P energy: -163.800
bonds (distance) P-C4' energy: -141.100
flat angles C4'-P-C4' energy: -171.036
flat angles P-C4'-P energy: -125.573
tors. eta vs tors. theta energy: -213.646
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: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2325.909094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.909094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.101363 (E_RNA)
where:
Base-Base interactions energy: -1557.445
where: short stacking energy: -700.928
Base-Backbone interact. energy: -1.677
local terms energy: -768.979266
where:
bonds (distance) C4'-P energy: -139.857
bonds (distance) P-C4' energy: -148.294
flat angles C4'-P-C4' energy: -178.163
flat angles P-C4'-P energy: -118.820
tors. eta vs tors. theta energy: -183.845
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2272.029919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.029919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.724299 (E_RNA)
where:
Base-Base interactions energy: -1498.254
where: short stacking energy: -672.182
Base-Backbone interact. energy: -0.388
local terms energy: -778.081937
where:
bonds (distance) C4'-P energy: -131.407
bonds (distance) P-C4' energy: -160.834
flat angles C4'-P-C4' energy: -167.045
flat angles P-C4'-P energy: -119.250
tors. eta vs tors. theta energy: -199.546
Dist. restrs. and SS energy: 4.694 (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: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2235.187790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.187790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.374299 (E_RNA)
where:
Base-Base interactions energy: -1494.280
where: short stacking energy: -650.345
Base-Backbone interact. energy: 0.218
local terms energy: -743.312123
where:
bonds (distance) C4'-P energy: -134.341
bonds (distance) P-C4' energy: -160.203
flat angles C4'-P-C4' energy: -172.900
flat angles P-C4'-P energy: -103.624
tors. eta vs tors. theta energy: -172.244
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: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2151.362503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.362503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.911021 (E_RNA)
where:
Base-Base interactions energy: -1438.711
where: short stacking energy: -633.975
Base-Backbone interact. energy: 1.069
local terms energy: -718.269383
where:
bonds (distance) C4'-P energy: -131.417
bonds (distance) P-C4' energy: -151.580
flat angles C4'-P-C4' energy: -155.487
flat angles P-C4'-P energy: -108.787
tors. eta vs tors. theta energy: -170.999
Dist. restrs. and SS energy: 4.549 (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: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2033.706788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.706788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.078214 (E_RNA)
where:
Base-Base interactions energy: -1392.760
where: short stacking energy: -581.866
Base-Backbone interact. energy: -0.780
local terms energy: -641.537925
where:
bonds (distance) C4'-P energy: -115.845
bonds (distance) P-C4' energy: -132.300
flat angles C4'-P-C4' energy: -145.086
flat angles P-C4'-P energy: -99.689
tors. eta vs tors. theta energy: -148.618
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: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1905.103311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.103311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.510492 (E_RNA)
where:
Base-Base interactions energy: -1326.002
where: short stacking energy: -587.905
Base-Backbone interact. energy: 1.237
local terms energy: -583.744716
where:
bonds (distance) C4'-P energy: -115.310
bonds (distance) P-C4' energy: -133.287
flat angles C4'-P-C4' energy: -127.190
flat angles P-C4'-P energy: -58.382
tors. eta vs tors. theta energy: -149.575
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: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1833.248336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.248336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.477582 (E_RNA)
where:
Base-Base interactions energy: -1245.916
where: short stacking energy: -471.549
Base-Backbone interact. energy: -3.208
local terms energy: -588.353828
where:
bonds (distance) C4'-P energy: -108.745
bonds (distance) P-C4' energy: -145.784
flat angles C4'-P-C4' energy: -149.997
flat angles P-C4'-P energy: -72.853
tors. eta vs tors. theta energy: -110.974
Dist. restrs. and SS energy: 4.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2778.227277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.227277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.108748 (E_RNA)
where:
Base-Base interactions energy: -1883.279
where: short stacking energy: -822.214
Base-Backbone interact. energy: -0.717
local terms energy: -897.112821
where:
bonds (distance) C4'-P energy: -168.727
bonds (distance) P-C4' energy: -166.512
flat angles C4'-P-C4' energy: -189.842
flat angles P-C4'-P energy: -139.121
tors. eta vs tors. theta energy: -232.911
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2747.591481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.591481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.821494 (E_RNA)
where:
Base-Base interactions energy: -1896.296
where: short stacking energy: -811.030
Base-Backbone interact. energy: 3.482
local terms energy: -857.007495
where:
bonds (distance) C4'-P energy: -145.478
bonds (distance) P-C4' energy: -160.945
flat angles C4'-P-C4' energy: -182.791
flat angles P-C4'-P energy: -120.854
tors. eta vs tors. theta energy: -246.940
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2629.705413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.705413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.524059 (E_RNA)
where:
Base-Base interactions energy: -1828.157
where: short stacking energy: -762.617
Base-Backbone interact. energy: -1.994
local terms energy: -801.373058
where:
bonds (distance) C4'-P energy: -143.622
bonds (distance) P-C4' energy: -156.371
flat angles C4'-P-C4' energy: -168.223
flat angles P-C4'-P energy: -106.186
tors. eta vs tors. theta energy: -226.971
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: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2403.852652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.852652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.755251 (E_RNA)
where:
Base-Base interactions energy: -1628.151
where: short stacking energy: -708.664
Base-Backbone interact. energy: 1.849
local terms energy: -778.453108
where:
bonds (distance) C4'-P energy: -152.333
bonds (distance) P-C4' energy: -146.908
flat angles C4'-P-C4' energy: -166.201
flat angles P-C4'-P energy: -105.832
tors. eta vs tors. theta energy: -207.178
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2259.029203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.029203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.500286 (E_RNA)
where:
Base-Base interactions energy: -1547.437
where: short stacking energy: -678.543
Base-Backbone interact. energy: -5.848
local terms energy: -710.215221
where:
bonds (distance) C4'-P energy: -133.374
bonds (distance) P-C4' energy: -133.717
flat angles C4'-P-C4' energy: -156.208
flat angles P-C4'-P energy: -109.946
tors. eta vs tors. theta energy: -176.971
Dist. restrs. and SS energy: 4.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2193.197790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.197790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.106388 (E_RNA)
where:
Base-Base interactions energy: -1468.420
where: short stacking energy: -639.501
Base-Backbone interact. energy: 3.062
local terms energy: -729.748187
where:
bonds (distance) C4'-P energy: -131.339
bonds (distance) P-C4' energy: -143.135
flat angles C4'-P-C4' energy: -164.295
flat angles P-C4'-P energy: -110.227
tors. eta vs tors. theta energy: -180.752
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2163.995589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.995589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.164554 (E_RNA)
where:
Base-Base interactions energy: -1505.034
where: short stacking energy: -651.542
Base-Backbone interact. energy: -0.300
local terms energy: -660.830636
where:
bonds (distance) C4'-P energy: -102.195
bonds (distance) P-C4' energy: -129.701
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -83.973
tors. eta vs tors. theta energy: -185.878
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2018.806808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.806808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.016316 (E_RNA)
where:
Base-Base interactions energy: -1354.021
where: short stacking energy: -605.183
Base-Backbone interact. energy: 0.548
local terms energy: -671.542564
where:
bonds (distance) C4'-P energy: -134.733
bonds (distance) P-C4' energy: -138.140
flat angles C4'-P-C4' energy: -137.292
flat angles P-C4'-P energy: -92.470
tors. eta vs tors. theta energy: -168.907
Dist. restrs. and SS energy: 6.210 (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: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1914.839242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.839242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.008359 (E_RNA)
where:
Base-Base interactions energy: -1304.740
where: short stacking energy: -555.782
Base-Backbone interact. energy: 4.530
local terms energy: -619.798506
where:
bonds (distance) C4'-P energy: -118.492
bonds (distance) P-C4' energy: -127.141
flat angles C4'-P-C4' energy: -149.145
flat angles P-C4'-P energy: -100.616
tors. eta vs tors. theta energy: -124.405
Dist. restrs. and SS energy: 5.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1890.731045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.731045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.016874 (E_RNA)
where:
Base-Base interactions energy: -1278.058
where: short stacking energy: -543.801
Base-Backbone interact. energy: 7.614
local terms energy: -623.572933
where:
bonds (distance) C4'-P energy: -117.734
bonds (distance) P-C4' energy: -129.385
flat angles C4'-P-C4' energy: -139.599
flat angles P-C4'-P energy: -97.832
tors. eta vs tors. theta energy: -139.023
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2751.587932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.587932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.827236 (E_RNA)
where:
Base-Base interactions energy: -1887.874
where: short stacking energy: -803.138
Base-Backbone interact. energy: -1.679
local terms energy: -865.274216
where:
bonds (distance) C4'-P energy: -169.198
bonds (distance) P-C4' energy: -163.359
flat angles C4'-P-C4' energy: -182.296
flat angles P-C4'-P energy: -109.312
tors. eta vs tors. theta energy: -241.110
Dist. restrs. and SS energy: 3.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2720.782817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.782817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.546293 (E_RNA)
where:
Base-Base interactions energy: -1873.573
where: short stacking energy: -817.817
Base-Backbone interact. energy: 4.251
local terms energy: -852.224295
where:
bonds (distance) C4'-P energy: -164.059
bonds (distance) P-C4' energy: -161.064
flat angles C4'-P-C4' energy: -175.683
flat angles P-C4'-P energy: -111.053
tors. eta vs tors. theta energy: -240.366
Dist. restrs. and SS energy: 0.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2630.500495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.500495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.816326 (E_RNA)
where:
Base-Base interactions energy: -1788.064
where: short stacking energy: -769.720
Base-Backbone interact. energy: -3.157
local terms energy: -841.596230
where:
bonds (distance) C4'-P energy: -147.588
bonds (distance) P-C4' energy: -175.111
flat angles C4'-P-C4' energy: -174.970
flat angles P-C4'-P energy: -120.124
tors. eta vs tors. theta energy: -223.803
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2369.078263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.078263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.789955 (E_RNA)
where:
Base-Base interactions energy: -1613.124
where: short stacking energy: -695.971
Base-Backbone interact. energy: 1.424
local terms energy: -760.089338
where:
bonds (distance) C4'-P energy: -151.689
bonds (distance) P-C4' energy: -149.372
flat angles C4'-P-C4' energy: -174.167
flat angles P-C4'-P energy: -106.623
tors. eta vs tors. theta energy: -178.239
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: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2255.927571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.927571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.781143 (E_RNA)
where:
Base-Base interactions energy: -1542.172
where: short stacking energy: -672.290
Base-Backbone interact. energy: 0.588
local terms energy: -721.197390
where:
bonds (distance) C4'-P energy: -151.430
bonds (distance) P-C4' energy: -130.996
flat angles C4'-P-C4' energy: -149.590
flat angles P-C4'-P energy: -103.320
tors. eta vs tors. theta energy: -185.862
Dist. restrs. and SS energy: 6.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2165.142544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.142544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.549752 (E_RNA)
where:
Base-Base interactions energy: -1435.690
where: short stacking energy: -605.930
Base-Backbone interact. energy: -0.035
local terms energy: -730.825694
where:
bonds (distance) C4'-P energy: -150.154
bonds (distance) P-C4' energy: -162.558
flat angles C4'-P-C4' energy: -159.957
flat angles P-C4'-P energy: -85.220
tors. eta vs tors. theta energy: -172.936
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: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2112.856564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.856564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.874579 (E_RNA)
where:
Base-Base interactions energy: -1407.022
where: short stacking energy: -613.077
Base-Backbone interact. energy: -1.750
local terms energy: -706.102095
where:
bonds (distance) C4'-P energy: -117.392
bonds (distance) P-C4' energy: -150.774
flat angles C4'-P-C4' energy: -164.869
flat angles P-C4'-P energy: -95.780
tors. eta vs tors. theta energy: -177.287
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1946.991648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.991648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.495248 (E_RNA)
where:
Base-Base interactions energy: -1320.771
where: short stacking energy: -558.135
Base-Backbone interact. energy: -0.886
local terms energy: -627.837811
where:
bonds (distance) C4'-P energy: -104.407
bonds (distance) P-C4' energy: -130.718
flat angles C4'-P-C4' energy: -144.194
flat angles P-C4'-P energy: -106.586
tors. eta vs tors. theta energy: -141.933
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: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1912.908485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.908485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.041069 (E_RNA)
where:
Base-Base interactions energy: -1280.743
where: short stacking energy: -555.830
Base-Backbone interact. energy: -2.178
local terms energy: -632.120330
where:
bonds (distance) C4'-P energy: -123.950
bonds (distance) P-C4' energy: -137.919
flat angles C4'-P-C4' energy: -140.530
flat angles P-C4'-P energy: -88.675
tors. eta vs tors. theta energy: -141.046
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1861.277614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.277614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.924192 (E_RNA)
where:
Base-Base interactions energy: -1252.737
where: short stacking energy: -526.117
Base-Backbone interact. energy: -1.575
local terms energy: -615.612020
where:
bonds (distance) C4'-P energy: -120.590
bonds (distance) P-C4' energy: -138.596
flat angles C4'-P-C4' energy: -146.092
flat angles P-C4'-P energy: -80.320
tors. eta vs tors. theta energy: -130.014
Dist. restrs. and SS energy: 8.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2775.841863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.841863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.632584 (E_RNA)
where:
Base-Base interactions energy: -1911.572
where: short stacking energy: -829.584
Base-Backbone interact. energy: -1.207
local terms energy: -864.853873
where:
bonds (distance) C4'-P energy: -147.968
bonds (distance) P-C4' energy: -160.607
flat angles C4'-P-C4' energy: -185.864
flat angles P-C4'-P energy: -135.477
tors. eta vs tors. theta energy: -234.938
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2694.427849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.427849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.485493 (E_RNA)
where:
Base-Base interactions energy: -1853.809
where: short stacking energy: -771.247
Base-Backbone interact. energy: -1.558
local terms energy: -842.118151
where:
bonds (distance) C4'-P energy: -151.152
bonds (distance) P-C4' energy: -169.093
flat angles C4'-P-C4' energy: -176.950
flat angles P-C4'-P energy: -116.461
tors. eta vs tors. theta energy: -228.462
Dist. restrs. and SS energy: 3.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2659.111217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.111217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.172282 (E_RNA)
where:
Base-Base interactions energy: -1837.527
where: short stacking energy: -771.590
Base-Backbone interact. energy: -3.070
local terms energy: -821.575242
where:
bonds (distance) C4'-P energy: -129.109
bonds (distance) P-C4' energy: -159.032
flat angles C4'-P-C4' energy: -171.276
flat angles P-C4'-P energy: -126.381
tors. eta vs tors. theta energy: -235.777
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2401.408677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.408677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.067931 (E_RNA)
where:
Base-Base interactions energy: -1620.984
where: short stacking energy: -718.332
Base-Backbone interact. energy: 4.869
local terms energy: -786.952055
where:
bonds (distance) C4'-P energy: -131.509
bonds (distance) P-C4' energy: -159.222
flat angles C4'-P-C4' energy: -172.152
flat angles P-C4'-P energy: -121.629
tors. eta vs tors. theta energy: -202.441
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2278.080916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.080916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.157092 (E_RNA)
where:
Base-Base interactions energy: -1536.112
where: short stacking energy: -646.970
Base-Backbone interact. energy: 0.215
local terms energy: -748.259838
where:
bonds (distance) C4'-P energy: -148.546
bonds (distance) P-C4' energy: -159.894
flat angles C4'-P-C4' energy: -151.431
flat angles P-C4'-P energy: -106.879
tors. eta vs tors. theta energy: -181.509
Dist. restrs. and SS energy: 6.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2131.954831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.954831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.930092 (E_RNA)
where:
Base-Base interactions energy: -1430.062
where: short stacking energy: -601.490
Base-Backbone interact. energy: -1.358
local terms energy: -702.509992
where:
bonds (distance) C4'-P energy: -134.465
bonds (distance) P-C4' energy: -145.487
flat angles C4'-P-C4' energy: -165.103
flat angles P-C4'-P energy: -100.487
tors. eta vs tors. theta energy: -156.968
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2092.227784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.227784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.305923 (E_RNA)
where:
Base-Base interactions energy: -1413.405
where: short stacking energy: -602.917
Base-Backbone interact. energy: -0.698
local terms energy: -680.202434
where:
bonds (distance) C4'-P energy: -130.980
bonds (distance) P-C4' energy: -145.826
flat angles C4'-P-C4' energy: -162.120
flat angles P-C4'-P energy: -88.935
tors. eta vs tors. theta energy: -152.341
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: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1975.638323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.638323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.040003 (E_RNA)
where:
Base-Base interactions energy: -1355.954
where: short stacking energy: -582.256
Base-Backbone interact. energy: 11.296
local terms energy: -634.382369
where:
bonds (distance) C4'-P energy: -119.487
bonds (distance) P-C4' energy: -141.478
flat angles C4'-P-C4' energy: -138.571
flat angles P-C4'-P energy: -89.439
tors. eta vs tors. theta energy: -145.408
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: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1925.775445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.775445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.220394 (E_RNA)
where:
Base-Base interactions energy: -1312.819
where: short stacking energy: -567.861
Base-Backbone interact. energy: -0.275
local terms energy: -616.126052
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -128.834
flat angles C4'-P-C4' energy: -138.012
flat angles P-C4'-P energy: -90.823
tors. eta vs tors. theta energy: -137.741
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: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1869.571268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.571268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.312629 (E_RNA)
where:
Base-Base interactions energy: -1260.775
where: short stacking energy: -549.473
Base-Backbone interact. energy: -2.860
local terms energy: -609.677291
where:
bonds (distance) C4'-P energy: -94.475
bonds (distance) P-C4' energy: -140.781
flat angles C4'-P-C4' energy: -137.396
flat angles P-C4'-P energy: -85.739
tors. eta vs tors. theta energy: -151.286
Dist. restrs. and SS energy: 3.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2746.219016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.219016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.416132 (E_RNA)
where:
Base-Base interactions energy: -1893.223
where: short stacking energy: -825.269
Base-Backbone interact. energy: -3.563
local terms energy: -852.630064
where:
bonds (distance) C4'-P energy: -148.675
bonds (distance) P-C4' energy: -168.938
flat angles C4'-P-C4' energy: -184.870
flat angles P-C4'-P energy: -121.480
tors. eta vs tors. theta energy: -228.667
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2694.731886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.731886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.733233 (E_RNA)
where:
Base-Base interactions energy: -1839.329
where: short stacking energy: -777.577
Base-Backbone interact. energy: -7.136
local terms energy: -849.267830
where:
bonds (distance) C4'-P energy: -163.550
bonds (distance) P-C4' energy: -146.956
flat angles C4'-P-C4' energy: -185.680
flat angles P-C4'-P energy: -120.958
tors. eta vs tors. theta energy: -232.124
Dist. restrs. and SS energy: 1.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2653.117953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.117953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.879924 (E_RNA)
where:
Base-Base interactions energy: -1839.398
where: short stacking energy: -804.455
Base-Backbone interact. energy: -0.078
local terms energy: -816.403410
where:
bonds (distance) C4'-P energy: -153.123
bonds (distance) P-C4' energy: -137.116
flat angles C4'-P-C4' energy: -183.569
flat angles P-C4'-P energy: -115.608
tors. eta vs tors. theta energy: -226.988
Dist. restrs. and SS energy: 2.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2395.266359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.266359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.845314 (E_RNA)
where:
Base-Base interactions energy: -1604.804
where: short stacking energy: -710.183
Base-Backbone interact. energy: -3.136
local terms energy: -788.905376
where:
bonds (distance) C4'-P energy: -147.464
bonds (distance) P-C4' energy: -171.955
flat angles C4'-P-C4' energy: -162.900
flat angles P-C4'-P energy: -111.155
tors. eta vs tors. theta energy: -195.433
Dist. restrs. and SS energy: 1.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2242.643712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.643712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.466103 (E_RNA)
where:
Base-Base interactions energy: -1515.972
where: short stacking energy: -677.934
Base-Backbone interact. energy: 3.766
local terms energy: -738.259437
where:
bonds (distance) C4'-P energy: -141.792
bonds (distance) P-C4' energy: -144.986
flat angles C4'-P-C4' energy: -165.508
flat angles P-C4'-P energy: -107.848
tors. eta vs tors. theta energy: -178.125
Dist. restrs. and SS energy: 7.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2161.916537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.916537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.157480 (E_RNA)
where:
Base-Base interactions energy: -1439.978
where: short stacking energy: -629.899
Base-Backbone interact. energy: -0.570
local terms energy: -722.609751
where:
bonds (distance) C4'-P energy: -149.074
bonds (distance) P-C4' energy: -147.963
flat angles C4'-P-C4' energy: -154.393
flat angles P-C4'-P energy: -88.124
tors. eta vs tors. theta energy: -183.056
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: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2100.887343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.887343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.948510 (E_RNA)
where:
Base-Base interactions energy: -1419.948
where: short stacking energy: -603.333
Base-Backbone interact. energy: -0.444
local terms energy: -683.556101
where:
bonds (distance) C4'-P energy: -143.913
bonds (distance) P-C4' energy: -139.992
flat angles C4'-P-C4' energy: -139.369
flat angles P-C4'-P energy: -95.646
tors. eta vs tors. theta energy: -164.635
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: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2009.269398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.269398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.283425 (E_RNA)
where:
Base-Base interactions energy: -1353.805
where: short stacking energy: -584.054
Base-Backbone interact. energy: 0.091
local terms energy: -658.569346
where:
bonds (distance) C4'-P energy: -134.427
bonds (distance) P-C4' energy: -132.736
flat angles C4'-P-C4' energy: -150.301
flat angles P-C4'-P energy: -91.018
tors. eta vs tors. theta energy: -150.087
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: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1949.046278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.046278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.072993 (E_RNA)
where:
Base-Base interactions energy: -1340.954
where: short stacking energy: -562.875
Base-Backbone interact. energy: 3.121
local terms energy: -614.239604
where:
bonds (distance) C4'-P energy: -131.728
bonds (distance) P-C4' energy: -133.586
flat angles C4'-P-C4' energy: -142.672
flat angles P-C4'-P energy: -79.277
tors. eta vs tors. theta energy: -126.976
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: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1903.797087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.797087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.958473 (E_RNA)
where:
Base-Base interactions energy: -1252.718
where: short stacking energy: -540.567
Base-Backbone interact. energy: -5.043
local terms energy: -649.196942
where:
bonds (distance) C4'-P energy: -125.945
bonds (distance) P-C4' energy: -138.891
flat angles C4'-P-C4' energy: -134.405
flat angles P-C4'-P energy: -106.077
tors. eta vs tors. theta energy: -143.880
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2778.233865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.233865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.251308 (E_RNA)
where:
Base-Base interactions energy: -1924.412
where: short stacking energy: -803.230
Base-Backbone interact. energy: 0.788
local terms energy: -857.627422
where:
bonds (distance) C4'-P energy: -156.067
bonds (distance) P-C4' energy: -162.835
flat angles C4'-P-C4' energy: -191.365
flat angles P-C4'-P energy: -108.743
tors. eta vs tors. theta energy: -238.617
Dist. restrs. and SS energy: 3.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2731.528619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.528619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.674578 (E_RNA)
where:
Base-Base interactions energy: -1858.710
where: short stacking energy: -805.961
Base-Backbone interact. energy: 0.366
local terms energy: -875.331292
where:
bonds (distance) C4'-P energy: -161.743
bonds (distance) P-C4' energy: -167.555
flat angles C4'-P-C4' energy: -184.181
flat angles P-C4'-P energy: -126.470
tors. eta vs tors. theta energy: -235.382
Dist. restrs. and SS energy: 2.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2586.980754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.980754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.968238 (E_RNA)
where:
Base-Base interactions energy: -1784.782
where: short stacking energy: -762.285
Base-Backbone interact. energy: -2.993
local terms energy: -801.193091
where:
bonds (distance) C4'-P energy: -137.113
bonds (distance) P-C4' energy: -157.526
flat angles C4'-P-C4' energy: -169.253
flat angles P-C4'-P energy: -113.556
tors. eta vs tors. theta energy: -223.745
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: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2408.172017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.172017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.534431 (E_RNA)
where:
Base-Base interactions energy: -1630.909
where: short stacking energy: -705.757
Base-Backbone interact. energy: 3.796
local terms energy: -782.421156
where:
bonds (distance) C4'-P energy: -154.228
bonds (distance) P-C4' energy: -147.678
flat angles C4'-P-C4' energy: -171.092
flat angles P-C4'-P energy: -113.385
tors. eta vs tors. theta energy: -196.038
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: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2315.027640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.027640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.985096 (E_RNA)
where:
Base-Base interactions energy: -1568.452
where: short stacking energy: -692.542
Base-Backbone interact. energy: -2.101
local terms energy: -747.432273
where:
bonds (distance) C4'-P energy: -148.463
bonds (distance) P-C4' energy: -168.450
flat angles C4'-P-C4' energy: -145.228
flat angles P-C4'-P energy: -94.870
tors. eta vs tors. theta energy: -190.422
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: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2151.394026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.394026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.638446 (E_RNA)
where:
Base-Base interactions energy: -1441.354
where: short stacking energy: -612.290
Base-Backbone interact. energy: -3.092
local terms energy: -709.192200
where:
bonds (distance) C4'-P energy: -121.081
bonds (distance) P-C4' energy: -161.559
flat angles C4'-P-C4' energy: -161.414
flat angles P-C4'-P energy: -96.834
tors. eta vs tors. theta energy: -168.304
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2095.908511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.509606 (E_RNA)
where:
Base-Base interactions energy: -1417.957
where: short stacking energy: -608.900
Base-Backbone interact. energy: -2.320
local terms energy: -677.232810
where:
bonds (distance) C4'-P energy: -147.745
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -141.764
flat angles P-C4'-P energy: -91.141
tors. eta vs tors. theta energy: -159.148
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: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2034.943762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.943762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.786348 (E_RNA)
where:
Base-Base interactions energy: -1357.551
where: short stacking energy: -585.940
Base-Backbone interact. energy: 8.580
local terms energy: -688.815360
where:
bonds (distance) C4'-P energy: -154.699
bonds (distance) P-C4' energy: -142.694
flat angles C4'-P-C4' energy: -151.743
flat angles P-C4'-P energy: -86.767
tors. eta vs tors. theta energy: -152.912
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1960.098464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.098464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.380677 (E_RNA)
where:
Base-Base interactions energy: -1333.516
where: short stacking energy: -567.421
Base-Backbone interact. energy: 5.774
local terms energy: -634.638274
where:
bonds (distance) C4'-P energy: -122.923
bonds (distance) P-C4' energy: -129.240
flat angles C4'-P-C4' energy: -150.630
flat angles P-C4'-P energy: -87.643
tors. eta vs tors. theta energy: -144.202
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: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1817.215556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.215556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.977071 (E_RNA)
where:
Base-Base interactions energy: -1228.472
where: short stacking energy: -520.946
Base-Backbone interact. energy: 1.024
local terms energy: -594.529309
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -137.749
flat angles C4'-P-C4' energy: -130.403
flat angles P-C4'-P energy: -87.161
tors. eta vs tors. theta energy: -131.047
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: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2774.860115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.860115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.440345 (E_RNA)
where:
Base-Base interactions energy: -1885.477
where: short stacking energy: -820.170
Base-Backbone interact. energy: -3.291
local terms energy: -888.672424
where:
bonds (distance) C4'-P energy: -158.684
bonds (distance) P-C4' energy: -168.243
flat angles C4'-P-C4' energy: -182.590
flat angles P-C4'-P energy: -131.934
tors. eta vs tors. theta energy: -247.221
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: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2690.652411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.652411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.701874 (E_RNA)
where:
Base-Base interactions energy: -1858.274
where: short stacking energy: -787.507
Base-Backbone interact. energy: -2.437
local terms energy: -831.990738
where:
bonds (distance) C4'-P energy: -156.855
bonds (distance) P-C4' energy: -146.733
flat angles C4'-P-C4' energy: -187.957
flat angles P-C4'-P energy: -114.007
tors. eta vs tors. theta energy: -226.438
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: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2609.393811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.393811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.008953 (E_RNA)
where:
Base-Base interactions energy: -1786.539
where: short stacking energy: -766.816
Base-Backbone interact. energy: -2.397
local terms energy: -822.072386
where:
bonds (distance) C4'-P energy: -148.149
bonds (distance) P-C4' energy: -155.636
flat angles C4'-P-C4' energy: -171.309
flat angles P-C4'-P energy: -114.011
tors. eta vs tors. theta energy: -232.968
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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2402.313445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.313445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.514028 (E_RNA)
where:
Base-Base interactions energy: -1595.846
where: short stacking energy: -714.914
Base-Backbone interact. energy: -3.815
local terms energy: -804.853471
where:
bonds (distance) C4'-P energy: -130.922
bonds (distance) P-C4' energy: -163.462
flat angles C4'-P-C4' energy: -178.834
flat angles P-C4'-P energy: -128.083
tors. eta vs tors. theta energy: -203.553
Dist. restrs. and SS energy: 2.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2340.960282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.960282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.592345 (E_RNA)
where:
Base-Base interactions energy: -1617.643
where: short stacking energy: -683.573
Base-Backbone interact. energy: -2.654
local terms energy: -721.295676
where:
bonds (distance) C4'-P energy: -150.427
bonds (distance) P-C4' energy: -146.825
flat angles C4'-P-C4' energy: -156.836
flat angles P-C4'-P energy: -84.175
tors. eta vs tors. theta energy: -183.033
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2120.087046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.087046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.030811 (E_RNA)
where:
Base-Base interactions energy: -1441.401
where: short stacking energy: -609.827
Base-Backbone interact. energy: 5.349
local terms energy: -685.978433
where:
bonds (distance) C4'-P energy: -129.979
bonds (distance) P-C4' energy: -152.970
flat angles C4'-P-C4' energy: -144.807
flat angles P-C4'-P energy: -97.897
tors. eta vs tors. theta energy: -160.325
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: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2096.166958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.166958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.162507 (E_RNA)
where:
Base-Base interactions energy: -1412.923
where: short stacking energy: -618.187
Base-Backbone interact. energy: -1.609
local terms energy: -683.630779
where:
bonds (distance) C4'-P energy: -127.488
bonds (distance) P-C4' energy: -140.070
flat angles C4'-P-C4' energy: -144.234
flat angles P-C4'-P energy: -99.553
tors. eta vs tors. theta energy: -172.285
Dist. restrs. and SS energy: 1.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2026.058551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.058551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.062274 (E_RNA)
where:
Base-Base interactions energy: -1342.627
where: short stacking energy: -552.109
Base-Backbone interact. energy: -3.908
local terms energy: -681.526842
where:
bonds (distance) C4'-P energy: -149.800
bonds (distance) P-C4' energy: -149.360
flat angles C4'-P-C4' energy: -146.274
flat angles P-C4'-P energy: -99.547
tors. eta vs tors. theta energy: -136.545
Dist. restrs. and SS energy: 2.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1907.841085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.841085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.134457 (E_RNA)
where:
Base-Base interactions energy: -1292.520
where: short stacking energy: -557.256
Base-Backbone interact. energy: -0.679
local terms energy: -619.935238
where:
bonds (distance) C4'-P energy: -124.659
bonds (distance) P-C4' energy: -131.850
flat angles C4'-P-C4' energy: -143.426
flat angles P-C4'-P energy: -87.683
tors. eta vs tors. theta energy: -132.318
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: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1830.274316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.274316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.597451 (E_RNA)
where:
Base-Base interactions energy: -1262.266
where: short stacking energy: -531.414
Base-Backbone interact. energy: -1.722
local terms energy: -569.609539
where:
bonds (distance) C4'-P energy: -116.618
bonds (distance) P-C4' energy: -125.391
flat angles C4'-P-C4' energy: -127.598
flat angles P-C4'-P energy: -73.253
tors. eta vs tors. theta energy: -126.749
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2762.705446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.705446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.366374 (E_RNA)
where:
Base-Base interactions energy: -1864.338
where: short stacking energy: -798.487
Base-Backbone interact. energy: -7.026
local terms energy: -894.002661
where:
bonds (distance) C4'-P energy: -161.302
bonds (distance) P-C4' energy: -178.317
flat angles C4'-P-C4' energy: -178.006
flat angles P-C4'-P energy: -129.013
tors. eta vs tors. theta energy: -247.364
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2662.880172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.880172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.225882 (E_RNA)
where:
Base-Base interactions energy: -1833.982
where: short stacking energy: -773.200
Base-Backbone interact. energy: -5.321
local terms energy: -824.923641
where:
bonds (distance) C4'-P energy: -144.390
bonds (distance) P-C4' energy: -158.967
flat angles C4'-P-C4' energy: -185.416
flat angles P-C4'-P energy: -111.944
tors. eta vs tors. theta energy: -224.206
Dist. restrs. and SS energy: 1.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2635.473523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.473523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.377631 (E_RNA)
where:
Base-Base interactions energy: -1820.576
where: short stacking energy: -774.297
Base-Backbone interact. energy: -0.297
local terms energy: -817.504538
where:
bonds (distance) C4'-P energy: -151.914
bonds (distance) P-C4' energy: -155.240
flat angles C4'-P-C4' energy: -179.227
flat angles P-C4'-P energy: -107.659
tors. eta vs tors. theta energy: -223.464
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: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2441.644005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.644005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.914518 (E_RNA)
where:
Base-Base interactions energy: -1656.470
where: short stacking energy: -712.843
Base-Backbone interact. energy: 3.692
local terms energy: -790.136947
where:
bonds (distance) C4'-P energy: -157.300
bonds (distance) P-C4' energy: -149.230
flat angles C4'-P-C4' energy: -173.802
flat angles P-C4'-P energy: -122.265
tors. eta vs tors. theta energy: -187.540
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2366.304047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.304047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.858897 (E_RNA)
where:
Base-Base interactions energy: -1610.019
where: short stacking energy: -692.372
Base-Backbone interact. energy: 3.224
local terms energy: -761.063680
where:
bonds (distance) C4'-P energy: -152.842
bonds (distance) P-C4' energy: -129.868
flat angles C4'-P-C4' energy: -174.740
flat angles P-C4'-P energy: -113.611
tors. eta vs tors. theta energy: -190.004
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: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2189.291444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.291444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.291994 (E_RNA)
where:
Base-Base interactions energy: -1464.934
where: short stacking energy: -646.604
Base-Backbone interact. energy: 0.298
local terms energy: -726.656233
where:
bonds (distance) C4'-P energy: -139.360
bonds (distance) P-C4' energy: -138.207
flat angles C4'-P-C4' energy: -166.091
flat angles P-C4'-P energy: -98.678
tors. eta vs tors. theta energy: -184.320
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2062.207502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.207502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.289965 (E_RNA)
where:
Base-Base interactions energy: -1415.964
where: short stacking energy: -589.925
Base-Backbone interact. energy: -0.078
local terms energy: -648.248139
where:
bonds (distance) C4'-P energy: -122.220
bonds (distance) P-C4' energy: -132.216
flat angles C4'-P-C4' energy: -158.032
flat angles P-C4'-P energy: -92.409
tors. eta vs tors. theta energy: -143.371
Dist. restrs. and SS energy: 2.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2038.865707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.865707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.898982 (E_RNA)
where:
Base-Base interactions energy: -1387.903
where: short stacking energy: -618.856
Base-Backbone interact. energy: 2.077
local terms energy: -655.073353
where:
bonds (distance) C4'-P energy: -113.419
bonds (distance) P-C4' energy: -138.738
flat angles C4'-P-C4' energy: -153.427
flat angles P-C4'-P energy: -82.429
tors. eta vs tors. theta energy: -167.061
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: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1915.666892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.666892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.711849 (E_RNA)
where:
Base-Base interactions energy: -1320.272
where: short stacking energy: -561.751
Base-Backbone interact. energy: -2.389
local terms energy: -598.050361
where:
bonds (distance) C4'-P energy: -117.912
bonds (distance) P-C4' energy: -125.915
flat angles C4'-P-C4' energy: -124.260
flat angles P-C4'-P energy: -90.375
tors. eta vs tors. theta energy: -139.589
Dist. restrs. and SS energy: 5.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1856.269558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.269558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.324672 (E_RNA)
where:
Base-Base interactions energy: -1277.806
where: short stacking energy: -530.943
Base-Backbone interact. energy: -3.701
local terms energy: -577.817164
where:
bonds (distance) C4'-P energy: -125.249
bonds (distance) P-C4' energy: -127.441
flat angles C4'-P-C4' energy: -127.960
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -132.858
Dist. restrs. and SS energy: 3.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2787.534522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.534522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.516604 (E_RNA)
where:
Base-Base interactions energy: -1917.976
where: short stacking energy: -817.012
Base-Backbone interact. energy: -3.979
local terms energy: -866.561721
where:
bonds (distance) C4'-P energy: -152.521
bonds (distance) P-C4' energy: -157.887
flat angles C4'-P-C4' energy: -192.056
flat angles P-C4'-P energy: -126.429
tors. eta vs tors. theta energy: -237.670
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2681.262132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.262132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.342251 (E_RNA)
where:
Base-Base interactions energy: -1820.522
where: short stacking energy: -773.182
Base-Backbone interact. energy: -0.110
local terms energy: -862.710388
where:
bonds (distance) C4'-P energy: -165.278
bonds (distance) P-C4' energy: -174.758
flat angles C4'-P-C4' energy: -174.917
flat angles P-C4'-P energy: -124.196
tors. eta vs tors. theta energy: -223.563
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2599.959873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.959873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.430322 (E_RNA)
where:
Base-Base interactions energy: -1756.976
where: short stacking energy: -754.705
Base-Backbone interact. energy: -2.310
local terms energy: -843.144602
where:
bonds (distance) C4'-P energy: -165.875
bonds (distance) P-C4' energy: -152.196
flat angles C4'-P-C4' energy: -175.124
flat angles P-C4'-P energy: -119.286
tors. eta vs tors. theta energy: -230.665
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: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2393.573289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.573289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.052790 (E_RNA)
where:
Base-Base interactions energy: -1612.933
where: short stacking energy: -706.873
Base-Backbone interact. energy: -2.238
local terms energy: -780.881686
where:
bonds (distance) C4'-P energy: -143.957
bonds (distance) P-C4' energy: -156.455
flat angles C4'-P-C4' energy: -168.563
flat angles P-C4'-P energy: -109.769
tors. eta vs tors. theta energy: -202.137
Dist. restrs. and SS energy: 2.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2337.326316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.326316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.635554 (E_RNA)
where:
Base-Base interactions energy: -1602.876
where: short stacking energy: -693.408
Base-Backbone interact. energy: -3.652
local terms energy: -732.106931
where:
bonds (distance) C4'-P energy: -140.105
bonds (distance) P-C4' energy: -142.855
flat angles C4'-P-C4' energy: -152.000
flat angles P-C4'-P energy: -104.854
tors. eta vs tors. theta energy: -192.293
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: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2152.939698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.939698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.062120 (E_RNA)
where:
Base-Base interactions energy: -1421.281
where: short stacking energy: -646.877
Base-Backbone interact. energy: -3.267
local terms energy: -730.514668
where:
bonds (distance) C4'-P energy: -145.072
bonds (distance) P-C4' energy: -144.829
flat angles C4'-P-C4' energy: -159.027
flat angles P-C4'-P energy: -111.719
tors. eta vs tors. theta energy: -169.869
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2074.397060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.397060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.947499 (E_RNA)
where:
Base-Base interactions energy: -1416.515
where: short stacking energy: -604.628
Base-Backbone interact. energy: 4.165
local terms energy: -663.597498
where:
bonds (distance) C4'-P energy: -114.673
bonds (distance) P-C4' energy: -140.690
flat angles C4'-P-C4' energy: -136.219
flat angles P-C4'-P energy: -119.251
tors. eta vs tors. theta energy: -152.765
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: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2032.805339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.805339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.959783 (E_RNA)
where:
Base-Base interactions energy: -1362.411
where: short stacking energy: -586.010
Base-Backbone interact. energy: -0.528
local terms energy: -674.020535
where:
bonds (distance) C4'-P energy: -138.887
bonds (distance) P-C4' energy: -139.192
flat angles C4'-P-C4' energy: -144.629
flat angles P-C4'-P energy: -88.530
tors. eta vs tors. theta energy: -162.782
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1917.910153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.910153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.469140 (E_RNA)
where:
Base-Base interactions energy: -1274.714
where: short stacking energy: -535.871
Base-Backbone interact. energy: -1.722
local terms energy: -645.032390
where:
bonds (distance) C4'-P energy: -124.014
bonds (distance) P-C4' energy: -149.382
flat angles C4'-P-C4' energy: -144.649
flat angles P-C4'-P energy: -92.650
tors. eta vs tors. theta energy: -134.338
Dist. restrs. and SS energy: 3.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1830.648632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.648632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.043006 (E_RNA)
where:
Base-Base interactions energy: -1239.789
where: short stacking energy: -541.386
Base-Backbone interact. energy: -1.176
local terms energy: -594.077939
where:
bonds (distance) C4'-P energy: -131.400
bonds (distance) P-C4' energy: -105.754
flat angles C4'-P-C4' energy: -137.918
flat angles P-C4'-P energy: -97.144
tors. eta vs tors. theta energy: -121.863
Dist. restrs. and SS energy: 4.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2814.045425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.045425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.796824 (E_RNA)
where:
Base-Base interactions energy: -1927.471
where: short stacking energy: -836.189
Base-Backbone interact. energy: -3.410
local terms energy: -883.915721
where:
bonds (distance) C4'-P energy: -156.595
bonds (distance) P-C4' energy: -168.416
flat angles C4'-P-C4' energy: -181.253
flat angles P-C4'-P energy: -128.195
tors. eta vs tors. theta energy: -249.457
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: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2690.263221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.263221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.452608 (E_RNA)
where:
Base-Base interactions energy: -1847.526
where: short stacking energy: -763.121
Base-Backbone interact. energy: -0.248
local terms energy: -843.679300
where:
bonds (distance) C4'-P energy: -156.207
bonds (distance) P-C4' energy: -173.725
flat angles C4'-P-C4' energy: -172.867
flat angles P-C4'-P energy: -122.388
tors. eta vs tors. theta energy: -218.491
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: 89
Temperature: 1.000000
Total energy: -2618.125360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.125360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.663810 (E_RNA)
where:
Base-Base interactions energy: -1805.056
where: short stacking energy: -752.335
Base-Backbone interact. energy: -2.171
local terms energy: -814.436551
where:
bonds (distance) C4'-P energy: -144.749
bonds (distance) P-C4' energy: -151.421
flat angles C4'-P-C4' energy: -171.509
flat angles P-C4'-P energy: -122.072
tors. eta vs tors. theta energy: -224.685
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: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2406.171150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.171150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.865955 (E_RNA)
where:
Base-Base interactions energy: -1601.298
where: short stacking energy: -724.750
Base-Backbone interact. energy: -2.676
local terms energy: -804.891759
where:
bonds (distance) C4'-P energy: -157.663
bonds (distance) P-C4' energy: -163.403
flat angles C4'-P-C4' energy: -162.410
flat angles P-C4'-P energy: -108.089
tors. eta vs tors. theta energy: -213.327
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2393.549271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.549271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.292125 (E_RNA)
where:
Base-Base interactions energy: -1616.982
where: short stacking energy: -717.301
Base-Backbone interact. energy: -0.742
local terms energy: -777.567649
where:
bonds (distance) C4'-P energy: -138.610
bonds (distance) P-C4' energy: -145.120
flat angles C4'-P-C4' energy: -166.025
flat angles P-C4'-P energy: -113.093
tors. eta vs tors. theta energy: -214.720
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: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2195.428177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.428177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.028248 (E_RNA)
where:
Base-Base interactions energy: -1468.641
where: short stacking energy: -627.315
Base-Backbone interact. energy: -4.552
local terms energy: -724.835534
where:
bonds (distance) C4'-P energy: -148.542
bonds (distance) P-C4' energy: -153.653
flat angles C4'-P-C4' energy: -154.953
flat angles P-C4'-P energy: -95.975
tors. eta vs tors. theta energy: -171.713
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: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2083.781629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.781629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.004606 (E_RNA)
where:
Base-Base interactions energy: -1368.499
where: short stacking energy: -609.853
Base-Backbone interact. energy: -0.442
local terms energy: -717.063893
where:
bonds (distance) C4'-P energy: -141.470
bonds (distance) P-C4' energy: -136.492
flat angles C4'-P-C4' energy: -160.661
flat angles P-C4'-P energy: -101.178
tors. eta vs tors. theta energy: -177.262
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1977.903393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.903393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.873724 (E_RNA)
where:
Base-Base interactions energy: -1332.099
where: short stacking energy: -560.949
Base-Backbone interact. energy: 5.854
local terms energy: -653.628766
where:
bonds (distance) C4'-P energy: -141.918
bonds (distance) P-C4' energy: -134.031
flat angles C4'-P-C4' energy: -140.691
flat angles P-C4'-P energy: -84.723
tors. eta vs tors. theta energy: -152.267
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: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1935.421247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.421247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.595943 (E_RNA)
where:
Base-Base interactions energy: -1304.705
where: short stacking energy: -539.374
Base-Backbone interact. energy: -0.632
local terms energy: -632.258047
where:
bonds (distance) C4'-P energy: -128.030
bonds (distance) P-C4' energy: -128.892
flat angles C4'-P-C4' energy: -147.583
flat angles P-C4'-P energy: -91.189
tors. eta vs tors. theta energy: -136.565
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1902.325002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.325002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.785380 (E_RNA)
where:
Base-Base interactions energy: -1254.739
where: short stacking energy: -509.518
Base-Backbone interact. energy: -1.149
local terms energy: -650.897448
where:
bonds (distance) C4'-P energy: -131.526
bonds (distance) P-C4' energy: -145.748
flat angles C4'-P-C4' energy: -144.351
flat angles P-C4'-P energy: -86.062
tors. eta vs tors. theta energy: -143.211
Dist. restrs. and SS energy: 4.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2785.909864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.909864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.805250 (E_RNA)
where:
Base-Base interactions energy: -1897.151
where: short stacking energy: -806.929
Base-Backbone interact. energy: -3.405
local terms energy: -889.249568
where:
bonds (distance) C4'-P energy: -169.918
bonds (distance) P-C4' energy: -172.820
flat angles C4'-P-C4' energy: -181.732
flat angles P-C4'-P energy: -128.638
tors. eta vs tors. theta energy: -236.142
Dist. restrs. and SS energy: 3.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2688.209187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.209187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.701869 (E_RNA)
where:
Base-Base interactions energy: -1860.724
where: short stacking energy: -778.916
Base-Backbone interact. energy: 3.001
local terms energy: -831.979089
where:
bonds (distance) C4'-P energy: -143.723
bonds (distance) P-C4' energy: -181.785
flat angles C4'-P-C4' energy: -177.544
flat angles P-C4'-P energy: -107.945
tors. eta vs tors. theta energy: -220.981
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2627.272666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.272666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.517959 (E_RNA)
where:
Base-Base interactions energy: -1815.147
where: short stacking energy: -762.530
Base-Backbone interact. energy: 1.908
local terms energy: -816.279686
where:
bonds (distance) C4'-P energy: -157.226
bonds (distance) P-C4' energy: -152.092
flat angles C4'-P-C4' energy: -174.783
flat angles P-C4'-P energy: -106.553
tors. eta vs tors. theta energy: -225.625
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: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2390.571769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.571769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.161254 (E_RNA)
where:
Base-Base interactions energy: -1613.389
where: short stacking energy: -706.580
Base-Backbone interact. energy: -0.816
local terms energy: -779.956476
where:
bonds (distance) C4'-P energy: -149.653
bonds (distance) P-C4' energy: -147.795
flat angles C4'-P-C4' energy: -178.060
flat angles P-C4'-P energy: -106.621
tors. eta vs tors. theta energy: -197.827
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: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2330.223785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.223785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.793312 (E_RNA)
where:
Base-Base interactions energy: -1567.401
where: short stacking energy: -669.997
Base-Backbone interact. energy: -2.441
local terms energy: -762.950510
where:
bonds (distance) C4'-P energy: -147.811
bonds (distance) P-C4' energy: -148.519
flat angles C4'-P-C4' energy: -167.388
flat angles P-C4'-P energy: -104.141
tors. eta vs tors. theta energy: -195.091
Dist. restrs. and SS energy: 2.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2203.476921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.476921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.038353 (E_RNA)
where:
Base-Base interactions energy: -1495.340
where: short stacking energy: -656.294
Base-Backbone interact. energy: -1.520
local terms energy: -708.177743
where:
bonds (distance) C4'-P energy: -127.660
bonds (distance) P-C4' energy: -139.224
flat angles C4'-P-C4' energy: -161.067
flat angles P-C4'-P energy: -104.183
tors. eta vs tors. theta energy: -176.045
Dist. restrs. and SS energy: 1.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2089.886410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.886410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.949505 (E_RNA)
where:
Base-Base interactions energy: -1408.003
where: short stacking energy: -606.100
Base-Backbone interact. energy: -3.390
local terms energy: -679.556573
where:
bonds (distance) C4'-P energy: -130.463
bonds (distance) P-C4' energy: -141.451
flat angles C4'-P-C4' energy: -137.013
flat angles P-C4'-P energy: -100.041
tors. eta vs tors. theta energy: -170.588
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: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1980.154104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.154104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.209068 (E_RNA)
where:
Base-Base interactions energy: -1326.830
where: short stacking energy: -552.618
Base-Backbone interact. energy: -0.543
local terms energy: -656.836367
where:
bonds (distance) C4'-P energy: -138.176
bonds (distance) P-C4' energy: -125.893
flat angles C4'-P-C4' energy: -143.573
flat angles P-C4'-P energy: -92.237
tors. eta vs tors. theta energy: -156.957
Dist. restrs. and SS energy: 4.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1915.016196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.016196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.120051 (E_RNA)
where:
Base-Base interactions energy: -1280.206
where: short stacking energy: -551.053
Base-Backbone interact. energy: -0.391
local terms energy: -640.523155
where:
bonds (distance) C4'-P energy: -134.901
bonds (distance) P-C4' energy: -135.312
flat angles C4'-P-C4' energy: -156.019
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -141.131
Dist. restrs. and SS energy: 6.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1897.772586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.772586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.553297 (E_RNA)
where:
Base-Base interactions energy: -1299.318
where: short stacking energy: -546.268
Base-Backbone interact. energy: -0.632
local terms energy: -601.603171
where:
bonds (distance) C4'-P energy: -107.541
bonds (distance) P-C4' energy: -129.570
flat angles C4'-P-C4' energy: -140.632
flat angles P-C4'-P energy: -81.234
tors. eta vs tors. theta energy: -142.627
Dist. restrs. and SS energy: 3.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2767.206723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.206723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.646358 (E_RNA)
where:
Base-Base interactions energy: -1919.622
where: short stacking energy: -823.240
Base-Backbone interact. energy: -2.240
local terms energy: -846.784695
where:
bonds (distance) C4'-P energy: -159.074
bonds (distance) P-C4' energy: -154.664
flat angles C4'-P-C4' energy: -184.645
flat angles P-C4'-P energy: -107.469
tors. eta vs tors. theta energy: -240.932
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: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2729.829733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.829733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.593871 (E_RNA)
where:
Base-Base interactions energy: -1875.727
where: short stacking energy: -790.283
Base-Backbone interact. energy: -0.973
local terms energy: -854.893287
where:
bonds (distance) C4'-P energy: -159.934
bonds (distance) P-C4' energy: -154.819
flat angles C4'-P-C4' energy: -183.315
flat angles P-C4'-P energy: -114.121
tors. eta vs tors. theta energy: -242.705
Dist. restrs. and SS energy: 1.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2621.155762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.155762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.843240 (E_RNA)
where:
Base-Base interactions energy: -1771.109
where: short stacking energy: -744.963
Base-Backbone interact. energy: -4.447
local terms energy: -848.286865
where:
bonds (distance) C4'-P energy: -163.703
bonds (distance) P-C4' energy: -179.295
flat angles C4'-P-C4' energy: -179.720
flat angles P-C4'-P energy: -123.213
tors. eta vs tors. theta energy: -202.356
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: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2421.075524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.075524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.127440 (E_RNA)
where:
Base-Base interactions energy: -1654.183
where: short stacking energy: -720.680
Base-Backbone interact. energy: 2.165
local terms energy: -770.109312
where:
bonds (distance) C4'-P energy: -143.770
bonds (distance) P-C4' energy: -151.664
flat angles C4'-P-C4' energy: -174.051
flat angles P-C4'-P energy: -104.277
tors. eta vs tors. theta energy: -196.347
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: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2360.220559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.220559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.483198 (E_RNA)
where:
Base-Base interactions energy: -1606.075
where: short stacking energy: -715.400
Base-Backbone interact. energy: -2.596
local terms energy: -753.812369
where:
bonds (distance) C4'-P energy: -128.644
bonds (distance) P-C4' energy: -155.427
flat angles C4'-P-C4' energy: -167.482
flat angles P-C4'-P energy: -109.919
tors. eta vs tors. theta energy: -192.341
Dist. restrs. and SS energy: 2.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2161.842412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.842412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.841648 (E_RNA)
where:
Base-Base interactions energy: -1447.268
where: short stacking energy: -632.580
Base-Backbone interact. energy: -2.162
local terms energy: -715.411925
where:
bonds (distance) C4'-P energy: -140.718
bonds (distance) P-C4' energy: -145.710
flat angles C4'-P-C4' energy: -161.869
flat angles P-C4'-P energy: -102.373
tors. eta vs tors. theta energy: -164.743
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: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2084.831897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.831897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.838577 (E_RNA)
where:
Base-Base interactions energy: -1413.008
where: short stacking energy: -603.639
Base-Backbone interact. energy: 1.885
local terms energy: -676.716475
where:
bonds (distance) C4'-P energy: -142.770
bonds (distance) P-C4' energy: -138.465
flat angles C4'-P-C4' energy: -155.401
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -153.924
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2015.475792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.475792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.375262 (E_RNA)
where:
Base-Base interactions energy: -1382.913
where: short stacking energy: -580.053
Base-Backbone interact. energy: 2.156
local terms energy: -637.618315
where:
bonds (distance) C4'-P energy: -123.182
bonds (distance) P-C4' energy: -130.063
flat angles C4'-P-C4' energy: -149.440
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -152.949
Dist. restrs. and SS energy: 2.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1972.521547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.521547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.033405 (E_RNA)
where:
Base-Base interactions energy: -1333.015
where: short stacking energy: -552.440
Base-Backbone interact. energy: 2.684
local terms energy: -644.702503
where:
bonds (distance) C4'-P energy: -123.375
bonds (distance) P-C4' energy: -142.988
flat angles C4'-P-C4' energy: -134.653
flat angles P-C4'-P energy: -92.402
tors. eta vs tors. theta energy: -151.285
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: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1828.520455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.520455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.177983 (E_RNA)
where:
Base-Base interactions energy: -1245.231
where: short stacking energy: -503.566
Base-Backbone interact. energy: 2.926
local terms energy: -591.872883
where:
bonds (distance) C4'-P energy: -127.038
bonds (distance) P-C4' energy: -122.386
flat angles C4'-P-C4' energy: -123.992
flat angles P-C4'-P energy: -80.872
tors. eta vs tors. theta energy: -137.584
Dist. restrs. and SS energy: 5.658 (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: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2775.260829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.260829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.626789 (E_RNA)
where:
Base-Base interactions energy: -1877.794
where: short stacking energy: -814.475
Base-Backbone interact. energy: -0.291
local terms energy: -899.541684
where:
bonds (distance) C4'-P energy: -182.603
bonds (distance) P-C4' energy: -149.513
flat angles C4'-P-C4' energy: -190.341
flat angles P-C4'-P energy: -137.332
tors. eta vs tors. theta energy: -239.753
Dist. restrs. and SS energy: 2.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2677.522639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.522639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.821085 (E_RNA)
where:
Base-Base interactions energy: -1836.222
where: short stacking energy: -776.817
Base-Backbone interact. energy: -0.360
local terms energy: -842.239074
where:
bonds (distance) C4'-P energy: -151.638
bonds (distance) P-C4' energy: -167.715
flat angles C4'-P-C4' energy: -177.226
flat angles P-C4'-P energy: -112.350
tors. eta vs tors. theta energy: -233.309
Dist. restrs. and SS energy: 1.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2594.371009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.371009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.708300 (E_RNA)
where:
Base-Base interactions energy: -1804.968
where: short stacking energy: -758.766
Base-Backbone interact. energy: -4.305
local terms energy: -787.435858
where:
bonds (distance) C4'-P energy: -143.056
bonds (distance) P-C4' energy: -149.184
flat angles C4'-P-C4' energy: -171.893
flat angles P-C4'-P energy: -110.257
tors. eta vs tors. theta energy: -213.046
Dist. restrs. and SS energy: 2.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2427.398027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.398027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.215900 (E_RNA)
where:
Base-Base interactions energy: -1650.727
where: short stacking energy: -709.351
Base-Backbone interact. energy: 2.358
local terms energy: -780.846892
where:
bonds (distance) C4'-P energy: -138.577
bonds (distance) P-C4' energy: -144.692
flat angles C4'-P-C4' energy: -176.230
flat angles P-C4'-P energy: -115.211
tors. eta vs tors. theta energy: -206.137
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2296.996808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.996808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.351492 (E_RNA)
where:
Base-Base interactions energy: -1560.917
where: short stacking energy: -670.894
Base-Backbone interact. energy: -0.998
local terms energy: -738.436344
where:
bonds (distance) C4'-P energy: -134.943
bonds (distance) P-C4' energy: -150.391
flat angles C4'-P-C4' energy: -159.089
flat angles P-C4'-P energy: -109.922
tors. eta vs tors. theta energy: -184.092
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2205.821675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.821675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.307967 (E_RNA)
where:
Base-Base interactions energy: -1471.249
where: short stacking energy: -672.577
Base-Backbone interact. energy: 1.187
local terms energy: -738.246123
where:
bonds (distance) C4'-P energy: -137.238
bonds (distance) P-C4' energy: -152.874
flat angles C4'-P-C4' energy: -166.664
flat angles P-C4'-P energy: -103.164
tors. eta vs tors. theta energy: -178.306
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2125.899742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.899742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.033152 (E_RNA)
where:
Base-Base interactions energy: -1433.596
where: short stacking energy: -618.001
Base-Backbone interact. energy: 0.434
local terms energy: -696.870385
where:
bonds (distance) C4'-P energy: -130.250
bonds (distance) P-C4' energy: -149.012
flat angles C4'-P-C4' energy: -147.231
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -171.755
Dist. restrs. and SS energy: 4.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2037.948394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.948394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.352230 (E_RNA)
where:
Base-Base interactions energy: -1364.265
where: short stacking energy: -601.248
Base-Backbone interact. energy: -1.743
local terms energy: -676.343824
where:
bonds (distance) C4'-P energy: -135.737
bonds (distance) P-C4' energy: -145.059
flat angles C4'-P-C4' energy: -131.496
flat angles P-C4'-P energy: -86.570
tors. eta vs tors. theta energy: -177.483
Dist. restrs. and SS energy: 4.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1926.641361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.641361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.598207 (E_RNA)
where:
Base-Base interactions energy: -1278.717
where: short stacking energy: -540.919
Base-Backbone interact. energy: -3.267
local terms energy: -646.614402
where:
bonds (distance) C4'-P energy: -134.281
bonds (distance) P-C4' energy: -133.906
flat angles C4'-P-C4' energy: -134.241
flat angles P-C4'-P energy: -91.653
tors. eta vs tors. theta energy: -152.534
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: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1803.034645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.034645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.647544 (E_RNA)
where:
Base-Base interactions energy: -1214.484
where: short stacking energy: -497.150
Base-Backbone interact. energy: -2.184
local terms energy: -589.979889
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -123.876
flat angles C4'-P-C4' energy: -130.567
flat angles P-C4'-P energy: -78.441
tors. eta vs tors. theta energy: -115.000
Dist. restrs. and SS energy: 3.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2797.959173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.959173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.170846 (E_RNA)
where:
Base-Base interactions energy: -1898.662
where: short stacking energy: -819.840
Base-Backbone interact. energy: 1.931
local terms energy: -903.440044
where:
bonds (distance) C4'-P energy: -173.565
bonds (distance) P-C4' energy: -182.307
flat angles C4'-P-C4' energy: -185.816
flat angles P-C4'-P energy: -124.750
tors. eta vs tors. theta energy: -237.002
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: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2688.049458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.049458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.744540 (E_RNA)
where:
Base-Base interactions energy: -1831.197
where: short stacking energy: -785.789
Base-Backbone interact. energy: 0.944
local terms energy: -859.491625
where:
bonds (distance) C4'-P energy: -165.899
bonds (distance) P-C4' energy: -153.518
flat angles C4'-P-C4' energy: -184.621
flat angles P-C4'-P energy: -121.667
tors. eta vs tors. theta energy: -233.788
Dist. restrs. and SS energy: 1.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2617.993828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.993828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.930977 (E_RNA)
where:
Base-Base interactions energy: -1792.682
where: short stacking energy: -771.560
Base-Backbone interact. energy: 7.421
local terms energy: -834.670055
where:
bonds (distance) C4'-P energy: -146.819
bonds (distance) P-C4' energy: -153.559
flat angles C4'-P-C4' energy: -178.170
flat angles P-C4'-P energy: -126.058
tors. eta vs tors. theta energy: -230.064
Dist. restrs. and SS energy: 1.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2453.998818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.998818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.965386 (E_RNA)
where:
Base-Base interactions energy: -1682.950
where: short stacking energy: -735.955
Base-Backbone interact. energy: 0.227
local terms energy: -773.242167
where:
bonds (distance) C4'-P energy: -138.045
bonds (distance) P-C4' energy: -130.887
flat angles C4'-P-C4' energy: -178.578
flat angles P-C4'-P energy: -114.151
tors. eta vs tors. theta energy: -211.581
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: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2304.342975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.342975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.438308 (E_RNA)
where:
Base-Base interactions energy: -1547.667
where: short stacking energy: -678.079
Base-Backbone interact. energy: -2.807
local terms energy: -755.963692
where:
bonds (distance) C4'-P energy: -139.644
bonds (distance) P-C4' energy: -150.065
flat angles C4'-P-C4' energy: -171.735
flat angles P-C4'-P energy: -105.237
tors. eta vs tors. theta energy: -189.283
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2166.385266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.385266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.286796 (E_RNA)
where:
Base-Base interactions energy: -1450.660
where: short stacking energy: -635.786
Base-Backbone interact. energy: -1.034
local terms energy: -716.593545
where:
bonds (distance) C4'-P energy: -141.292
bonds (distance) P-C4' energy: -141.291
flat angles C4'-P-C4' energy: -155.914
flat angles P-C4'-P energy: -94.360
tors. eta vs tors. theta energy: -183.737
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: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2121.338520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.338520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.948421 (E_RNA)
where:
Base-Base interactions energy: -1438.855
where: short stacking energy: -621.348
Base-Backbone interact. energy: -4.128
local terms energy: -680.965730
where:
bonds (distance) C4'-P energy: -133.198
bonds (distance) P-C4' energy: -135.379
flat angles C4'-P-C4' energy: -160.036
flat angles P-C4'-P energy: -77.851
tors. eta vs tors. theta energy: -174.502
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: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1973.037959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.037959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.641023 (E_RNA)
where:
Base-Base interactions energy: -1325.330
where: short stacking energy: -547.582
Base-Backbone interact. energy: 3.649
local terms energy: -653.959384
where:
bonds (distance) C4'-P energy: -134.996
bonds (distance) P-C4' energy: -138.455
flat angles C4'-P-C4' energy: -137.201
flat angles P-C4'-P energy: -96.695
tors. eta vs tors. theta energy: -146.612
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: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1956.577701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.577701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.644337 (E_RNA)
where:
Base-Base interactions energy: -1354.896
where: short stacking energy: -583.320
Base-Backbone interact. energy: -1.455
local terms energy: -602.293092
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -117.516
flat angles C4'-P-C4' energy: -130.283
flat angles P-C4'-P energy: -89.863
tors. eta vs tors. theta energy: -137.884
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1860.354538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.354538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.065898 (E_RNA)
where:
Base-Base interactions energy: -1274.506
where: short stacking energy: -512.998
Base-Backbone interact. energy: -2.093
local terms energy: -589.466632
where:
bonds (distance) C4'-P energy: -111.029
bonds (distance) P-C4' energy: -124.833
flat angles C4'-P-C4' energy: -155.424
flat angles P-C4'-P energy: -74.485
tors. eta vs tors. theta energy: -123.696
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: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2739.568813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.568813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.987122 (E_RNA)
where:
Base-Base interactions energy: -1890.575
where: short stacking energy: -826.989
Base-Backbone interact. energy: 3.347
local terms energy: -854.759092
where:
bonds (distance) C4'-P energy: -157.948
bonds (distance) P-C4' energy: -159.398
flat angles C4'-P-C4' energy: -184.783
flat angles P-C4'-P energy: -117.967
tors. eta vs tors. theta energy: -234.663
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2710.740206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.740206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.250133 (E_RNA)
where:
Base-Base interactions energy: -1837.991
where: short stacking energy: -799.319
Base-Backbone interact. energy: 1.992
local terms energy: -876.251950
where:
bonds (distance) C4'-P energy: -161.129
bonds (distance) P-C4' energy: -168.238
flat angles C4'-P-C4' energy: -186.177
flat angles P-C4'-P energy: -129.266
tors. eta vs tors. theta energy: -231.442
Dist. restrs. and SS energy: 1.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2608.591311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.591311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.734955 (E_RNA)
where:
Base-Base interactions energy: -1823.598
where: short stacking energy: -772.790
Base-Backbone interact. energy: -1.495
local terms energy: -785.641807
where:
bonds (distance) C4'-P energy: -155.783
bonds (distance) P-C4' energy: -146.122
flat angles C4'-P-C4' energy: -176.932
flat angles P-C4'-P energy: -101.024
tors. eta vs tors. theta energy: -205.781
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: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2384.207101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.207101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.797554 (E_RNA)
where:
Base-Base interactions energy: -1598.266
where: short stacking energy: -668.593
Base-Backbone interact. energy: -0.542
local terms energy: -786.988671
where:
bonds (distance) C4'-P energy: -160.240
bonds (distance) P-C4' energy: -155.700
flat angles C4'-P-C4' energy: -165.792
flat angles P-C4'-P energy: -102.770
tors. eta vs tors. theta energy: -202.487
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2253.491738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.491738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.922406 (E_RNA)
where:
Base-Base interactions energy: -1516.400
where: short stacking energy: -676.409
Base-Backbone interact. energy: -0.944
local terms energy: -738.578448
where:
bonds (distance) C4'-P energy: -152.577
bonds (distance) P-C4' energy: -149.132
flat angles C4'-P-C4' energy: -141.145
flat angles P-C4'-P energy: -117.938
tors. eta vs tors. theta energy: -177.787
Dist. restrs. and SS energy: 2.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2210.923759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.923759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.699326 (E_RNA)
where:
Base-Base interactions energy: -1501.170
where: short stacking energy: -659.336
Base-Backbone interact. energy: -1.791
local terms energy: -710.738101
where:
bonds (distance) C4'-P energy: -134.111
bonds (distance) P-C4' energy: -126.487
flat angles C4'-P-C4' energy: -148.932
flat angles P-C4'-P energy: -122.854
tors. eta vs tors. theta energy: -178.355
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: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2117.519309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.519309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.876075 (E_RNA)
where:
Base-Base interactions energy: -1389.551
where: short stacking energy: -615.394
Base-Backbone interact. energy: -0.360
local terms energy: -729.965609
where:
bonds (distance) C4'-P energy: -129.092
bonds (distance) P-C4' energy: -148.938
flat angles C4'-P-C4' energy: -166.040
flat angles P-C4'-P energy: -104.295
tors. eta vs tors. theta energy: -181.600
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: 94
Temperature: 1.250000
Total energy: -1952.445493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.445493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.793652 (E_RNA)
where:
Base-Base interactions energy: -1320.338
where: short stacking energy: -555.853
Base-Backbone interact. energy: 0.645
local terms energy: -636.100421
where:
bonds (distance) C4'-P energy: -132.257
bonds (distance) P-C4' energy: -126.235
flat angles C4'-P-C4' energy: -142.726
flat angles P-C4'-P energy: -86.545
tors. eta vs tors. theta energy: -148.338
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: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1954.063694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.063694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.578070 (E_RNA)
where:
Base-Base interactions energy: -1336.218
where: short stacking energy: -550.205
Base-Backbone interact. energy: -0.094
local terms energy: -619.265935
where:
bonds (distance) C4'-P energy: -117.989
bonds (distance) P-C4' energy: -135.153
flat angles C4'-P-C4' energy: -137.700
flat angles P-C4'-P energy: -87.945
tors. eta vs tors. theta energy: -140.479
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: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1824.313451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.313451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.842658 (E_RNA)
where:
Base-Base interactions energy: -1250.411
where: short stacking energy: -529.318
Base-Backbone interact. energy: 1.876
local terms energy: -580.307353
where:
bonds (distance) C4'-P energy: -103.552
bonds (distance) P-C4' energy: -124.234
flat angles C4'-P-C4' energy: -115.470
flat angles P-C4'-P energy: -99.820
tors. eta vs tors. theta energy: -137.231
Dist. restrs. and SS energy: 4.529 (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: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2777.887050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.887050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.605268 (E_RNA)
where:
Base-Base interactions energy: -1917.069
where: short stacking energy: -818.616
Base-Backbone interact. energy: 2.089
local terms energy: -865.625302
where:
bonds (distance) C4'-P energy: -153.932
bonds (distance) P-C4' energy: -171.884
flat angles C4'-P-C4' energy: -191.718
flat angles P-C4'-P energy: -122.153
tors. eta vs tors. theta energy: -225.938
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: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2702.969624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.969624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.388211 (E_RNA)
where:
Base-Base interactions energy: -1840.648
where: short stacking energy: -781.006
Base-Backbone interact. energy: -2.400
local terms energy: -861.340362
where:
bonds (distance) C4'-P energy: -149.057
bonds (distance) P-C4' energy: -163.062
flat angles C4'-P-C4' energy: -191.594
flat angles P-C4'-P energy: -115.136
tors. eta vs tors. theta energy: -242.491
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2580.860714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.860714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.276737 (E_RNA)
where:
Base-Base interactions energy: -1726.130
where: short stacking energy: -703.804
Base-Backbone interact. energy: 0.153
local terms energy: -856.299159
where:
bonds (distance) C4'-P energy: -172.251
bonds (distance) P-C4' energy: -174.481
flat angles C4'-P-C4' energy: -178.440
flat angles P-C4'-P energy: -125.251
tors. eta vs tors. theta energy: -205.876
Dist. restrs. and SS energy: 1.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2423.591529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.591529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.901704 (E_RNA)
where:
Base-Base interactions energy: -1677.014
where: short stacking energy: -705.624
Base-Backbone interact. energy: -3.512
local terms energy: -745.375889
where:
bonds (distance) C4'-P energy: -151.475
bonds (distance) P-C4' energy: -124.874
flat angles C4'-P-C4' energy: -158.891
flat angles P-C4'-P energy: -112.726
tors. eta vs tors. theta energy: -197.410
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: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2202.974070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.974070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.346901 (E_RNA)
where:
Base-Base interactions energy: -1492.311
where: short stacking energy: -633.510
Base-Backbone interact. energy: 0.339
local terms energy: -714.375252
where:
bonds (distance) C4'-P energy: -136.722
bonds (distance) P-C4' energy: -141.919
flat angles C4'-P-C4' energy: -154.802
flat angles P-C4'-P energy: -107.546
tors. eta vs tors. theta energy: -173.387
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: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2142.405004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.405004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.536413 (E_RNA)
where:
Base-Base interactions energy: -1407.348
where: short stacking energy: -647.666
Base-Backbone interact. energy: 1.512
local terms energy: -738.700543
where:
bonds (distance) C4'-P energy: -138.423
bonds (distance) P-C4' energy: -157.804
flat angles C4'-P-C4' energy: -159.691
flat angles P-C4'-P energy: -95.516
tors. eta vs tors. theta energy: -187.266
Dist. restrs. and SS energy: 2.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2073.165705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.165705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.852767 (E_RNA)
where:
Base-Base interactions energy: -1399.302
where: short stacking energy: -606.703
Base-Backbone interact. energy: -2.086
local terms energy: -675.464689
where:
bonds (distance) C4'-P energy: -128.631
bonds (distance) P-C4' energy: -119.875
flat angles C4'-P-C4' energy: -166.147
flat angles P-C4'-P energy: -97.867
tors. eta vs tors. theta energy: -162.945
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: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2024.752477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.752477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.880787 (E_RNA)
where:
Base-Base interactions energy: -1375.605
where: short stacking energy: -573.145
Base-Backbone interact. energy: 2.762
local terms energy: -656.038515
where:
bonds (distance) C4'-P energy: -113.366
bonds (distance) P-C4' energy: -149.739
flat angles C4'-P-C4' energy: -136.891
flat angles P-C4'-P energy: -104.647
tors. eta vs tors. theta energy: -151.396
Dist. restrs. and SS energy: 4.128 (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: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1958.626176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.626176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.983762 (E_RNA)
where:
Base-Base interactions energy: -1344.448
where: short stacking energy: -570.915
Base-Backbone interact. energy: 0.716
local terms energy: -617.251541
where:
bonds (distance) C4'-P energy: -117.511
bonds (distance) P-C4' energy: -131.449
flat angles C4'-P-C4' energy: -131.701
flat angles P-C4'-P energy: -93.962
tors. eta vs tors. theta energy: -142.629
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1811.522880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.522880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.333486 (E_RNA)
where:
Base-Base interactions energy: -1220.955
where: short stacking energy: -494.417
Base-Backbone interact. energy: -3.334
local terms energy: -593.044898
where:
bonds (distance) C4'-P energy: -107.063
bonds (distance) P-C4' energy: -157.009
flat angles C4'-P-C4' energy: -122.235
flat angles P-C4'-P energy: -85.558
tors. eta vs tors. theta energy: -121.180
Dist. restrs. and SS energy: 5.811 (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: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2772.391416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.391416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.833715 (E_RNA)
where:
Base-Base interactions energy: -1899.071
where: short stacking energy: -828.635
Base-Backbone interact. energy: 2.427
local terms energy: -878.190131
where:
bonds (distance) C4'-P energy: -163.044
bonds (distance) P-C4' energy: -175.022
flat angles C4'-P-C4' energy: -182.487
flat angles P-C4'-P energy: -120.243
tors. eta vs tors. theta energy: -237.395
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2701.317801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.317801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.436710 (E_RNA)
where:
Base-Base interactions energy: -1857.259
where: short stacking energy: -790.869
Base-Backbone interact. energy: -1.156
local terms energy: -844.021876
where:
bonds (distance) C4'-P energy: -160.631
bonds (distance) P-C4' energy: -148.442
flat angles C4'-P-C4' energy: -185.177
flat angles P-C4'-P energy: -108.614
tors. eta vs tors. theta energy: -241.158
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: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2544.888606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.888606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.385263 (E_RNA)
where:
Base-Base interactions energy: -1749.645
where: short stacking energy: -739.005
Base-Backbone interact. energy: -3.240
local terms energy: -793.500448
where:
bonds (distance) C4'-P energy: -135.250
bonds (distance) P-C4' energy: -149.615
flat angles C4'-P-C4' energy: -179.708
flat angles P-C4'-P energy: -123.214
tors. eta vs tors. theta energy: -205.712
Dist. restrs. and SS energy: 1.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2457.016608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.016608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.091262 (E_RNA)
where:
Base-Base interactions energy: -1673.802
where: short stacking energy: -735.449
Base-Backbone interact. energy: -1.894
local terms energy: -784.395051
where:
bonds (distance) C4'-P energy: -131.532
bonds (distance) P-C4' energy: -157.424
flat angles C4'-P-C4' energy: -174.194
flat angles P-C4'-P energy: -102.977
tors. eta vs tors. theta energy: -218.267
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: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2240.237222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.237222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.006993 (E_RNA)
where:
Base-Base interactions energy: -1504.295
where: short stacking energy: -657.331
Base-Backbone interact. energy: -1.848
local terms energy: -735.863480
where:
bonds (distance) C4'-P energy: -155.759
bonds (distance) P-C4' energy: -137.222
flat angles C4'-P-C4' energy: -161.043
flat angles P-C4'-P energy: -109.660
tors. eta vs tors. theta energy: -172.180
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2160.103548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.103548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.341612 (E_RNA)
where:
Base-Base interactions energy: -1458.837
where: short stacking energy: -646.803
Base-Backbone interact. energy: 0.567
local terms energy: -703.071798
where:
bonds (distance) C4'-P energy: -133.003
bonds (distance) P-C4' energy: -138.946
flat angles C4'-P-C4' energy: -158.998
flat angles P-C4'-P energy: -110.810
tors. eta vs tors. theta energy: -161.316
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2073.559607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.559607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.948555 (E_RNA)
where:
Base-Base interactions energy: -1387.838
where: short stacking energy: -601.654
Base-Backbone interact. energy: -1.205
local terms energy: -687.905664
where:
bonds (distance) C4'-P energy: -122.434
bonds (distance) P-C4' energy: -141.932
flat angles C4'-P-C4' energy: -160.311
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -167.530
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1986.936697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.936697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.092066 (E_RNA)
where:
Base-Base interactions energy: -1320.754
where: short stacking energy: -562.129
Base-Backbone interact. energy: -2.842
local terms energy: -666.495633
where:
bonds (distance) C4'-P energy: -130.941
bonds (distance) P-C4' energy: -148.893
flat angles C4'-P-C4' energy: -142.405
flat angles P-C4'-P energy: -94.690
tors. eta vs tors. theta energy: -149.566
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1900.709184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.709184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.070171 (E_RNA)
where:
Base-Base interactions energy: -1304.176
where: short stacking energy: -518.075
Base-Backbone interact. energy: 0.439
local terms energy: -600.333082
where:
bonds (distance) C4'-P energy: -133.815
bonds (distance) P-C4' energy: -113.480
flat angles C4'-P-C4' energy: -135.626
flat angles P-C4'-P energy: -98.205
tors. eta vs tors. theta energy: -119.208
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1819.253065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.253065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.437725 (E_RNA)
where:
Base-Base interactions energy: -1234.236
where: short stacking energy: -505.561
Base-Backbone interact. energy: 2.813
local terms energy: -591.014781
where:
bonds (distance) C4'-P energy: -149.996
bonds (distance) P-C4' energy: -117.442
flat angles C4'-P-C4' energy: -121.009
flat angles P-C4'-P energy: -83.612
tors. eta vs tors. theta energy: -118.955
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: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2758.253365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.253365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.169138 (E_RNA)
where:
Base-Base interactions energy: -1886.051
where: short stacking energy: -813.802
Base-Backbone interact. energy: -3.935
local terms energy: -871.183284
where:
bonds (distance) C4'-P energy: -156.086
bonds (distance) P-C4' energy: -151.889
flat angles C4'-P-C4' energy: -187.326
flat angles P-C4'-P energy: -135.968
tors. eta vs tors. theta energy: -239.914
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: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2706.166413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.166413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.408065 (E_RNA)
where:
Base-Base interactions energy: -1841.549
where: short stacking energy: -784.918
Base-Backbone interact. energy: 1.705
local terms energy: -867.564648
where:
bonds (distance) C4'-P energy: -158.557
bonds (distance) P-C4' energy: -161.686
flat angles C4'-P-C4' energy: -181.888
flat angles P-C4'-P energy: -127.215
tors. eta vs tors. theta energy: -238.219
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: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2595.207276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.207276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.464473 (E_RNA)
where:
Base-Base interactions energy: -1779.038
where: short stacking energy: -749.551
Base-Backbone interact. energy: -4.132
local terms energy: -813.293948
where:
bonds (distance) C4'-P energy: -152.079
bonds (distance) P-C4' energy: -147.700
flat angles C4'-P-C4' energy: -187.502
flat angles P-C4'-P energy: -109.388
tors. eta vs tors. theta energy: -216.624
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2424.954716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.954716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.311597 (E_RNA)
where:
Base-Base interactions energy: -1631.508
where: short stacking energy: -699.485
Base-Backbone interact. energy: -0.560
local terms energy: -795.244190
where:
bonds (distance) C4'-P energy: -144.283
bonds (distance) P-C4' energy: -151.257
flat angles C4'-P-C4' energy: -178.699
flat angles P-C4'-P energy: -106.444
tors. eta vs tors. theta energy: -214.561
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: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2188.975610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.975610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.403799 (E_RNA)
where:
Base-Base interactions energy: -1460.919
where: short stacking energy: -622.970
Base-Backbone interact. energy: -1.957
local terms energy: -728.527773
where:
bonds (distance) C4'-P energy: -143.880
bonds (distance) P-C4' energy: -144.038
flat angles C4'-P-C4' energy: -158.624
flat angles P-C4'-P energy: -111.396
tors. eta vs tors. theta energy: -170.591
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: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2160.535621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.535621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.134212 (E_RNA)
where:
Base-Base interactions energy: -1441.331
where: short stacking energy: -626.148
Base-Backbone interact. energy: -2.657
local terms energy: -719.145938
where:
bonds (distance) C4'-P energy: -135.146
bonds (distance) P-C4' energy: -148.314
flat angles C4'-P-C4' energy: -152.218
flat angles P-C4'-P energy: -111.730
tors. eta vs tors. theta energy: -171.738
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: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2068.790471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.790471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.502274 (E_RNA)
where:
Base-Base interactions energy: -1394.729
where: short stacking energy: -582.823
Base-Backbone interact. energy: 0.492
local terms energy: -678.264874
where:
bonds (distance) C4'-P energy: -127.082
bonds (distance) P-C4' energy: -146.581
flat angles C4'-P-C4' energy: -154.588
flat angles P-C4'-P energy: -88.405
tors. eta vs tors. theta energy: -161.609
Dist. restrs. and SS energy: 3.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1999.041277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.041277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.658352 (E_RNA)
where:
Base-Base interactions energy: -1374.030
where: short stacking energy: -597.352
Base-Backbone interact. energy: -1.395
local terms energy: -626.233640
where:
bonds (distance) C4'-P energy: -119.847
bonds (distance) P-C4' energy: -126.694
flat angles C4'-P-C4' energy: -140.953
flat angles P-C4'-P energy: -89.619
tors. eta vs tors. theta energy: -149.122
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: 97
Temperature: 1.300000
Total energy: -1889.354871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.354871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.965220 (E_RNA)
where:
Base-Base interactions energy: -1263.128
where: short stacking energy: -510.543
Base-Backbone interact. energy: -0.011
local terms energy: -630.825445
where:
bonds (distance) C4'-P energy: -144.866
bonds (distance) P-C4' energy: -153.631
flat angles C4'-P-C4' energy: -131.187
flat angles P-C4'-P energy: -72.250
tors. eta vs tors. theta energy: -128.891
Dist. restrs. and SS energy: 4.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1887.663782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.663782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.363890 (E_RNA)
where:
Base-Base interactions energy: -1311.801
where: short stacking energy: -555.509
Base-Backbone interact. energy: 1.421
local terms energy: -579.983649
where:
bonds (distance) C4'-P energy: -112.445
bonds (distance) P-C4' energy: -134.926
flat angles C4'-P-C4' energy: -149.181
flat angles P-C4'-P energy: -53.774
tors. eta vs tors. theta energy: -129.658
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2774.098849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.098849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.427163 (E_RNA)
where:
Base-Base interactions energy: -1882.607
where: short stacking energy: -817.291
Base-Backbone interact. energy: -0.130
local terms energy: -893.690705
where:
bonds (distance) C4'-P energy: -162.190
bonds (distance) P-C4' energy: -169.367
flat angles C4'-P-C4' energy: -187.459
flat angles P-C4'-P energy: -135.134
tors. eta vs tors. theta energy: -239.540
Dist. restrs. and SS energy: 2.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2675.222723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.222723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.583740 (E_RNA)
where:
Base-Base interactions energy: -1852.737
where: short stacking energy: -798.065
Base-Backbone interact. energy: -1.251
local terms energy: -822.596326
where:
bonds (distance) C4'-P energy: -154.650
bonds (distance) P-C4' energy: -151.118
flat angles C4'-P-C4' energy: -172.663
flat angles P-C4'-P energy: -108.654
tors. eta vs tors. theta energy: -235.511
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: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2624.956093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.956093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.336584 (E_RNA)
where:
Base-Base interactions energy: -1805.795
where: short stacking energy: -758.072
Base-Backbone interact. energy: -1.272
local terms energy: -819.269785
where:
bonds (distance) C4'-P energy: -153.620
bonds (distance) P-C4' energy: -161.833
flat angles C4'-P-C4' energy: -173.004
flat angles P-C4'-P energy: -113.710
tors. eta vs tors. theta energy: -217.103
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2432.320070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.320070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.380468 (E_RNA)
where:
Base-Base interactions energy: -1665.587
where: short stacking energy: -706.239
Base-Backbone interact. energy: 2.712
local terms energy: -771.505163
where:
bonds (distance) C4'-P energy: -132.936
bonds (distance) P-C4' energy: -158.593
flat angles C4'-P-C4' energy: -163.405
flat angles P-C4'-P energy: -107.650
tors. eta vs tors. theta energy: -208.921
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2270.322623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.322623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.517802 (E_RNA)
where:
Base-Base interactions energy: -1535.002
where: short stacking energy: -680.424
Base-Backbone interact. energy: -0.520
local terms energy: -737.995842
where:
bonds (distance) C4'-P energy: -148.293
bonds (distance) P-C4' energy: -138.109
flat angles C4'-P-C4' energy: -164.462
flat angles P-C4'-P energy: -103.087
tors. eta vs tors. theta energy: -184.044
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: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2174.371840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.371840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.199452 (E_RNA)
where:
Base-Base interactions energy: -1427.596
where: short stacking energy: -613.048
Base-Backbone interact. energy: -3.484
local terms energy: -745.118963
where:
bonds (distance) C4'-P energy: -130.261
bonds (distance) P-C4' energy: -160.611
flat angles C4'-P-C4' energy: -173.278
flat angles P-C4'-P energy: -106.082
tors. eta vs tors. theta energy: -174.886
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2065.896253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.896253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.893762 (E_RNA)
where:
Base-Base interactions energy: -1407.532
where: short stacking energy: -615.588
Base-Backbone interact. energy: 0.229
local terms energy: -661.590803
where:
bonds (distance) C4'-P energy: -121.651
bonds (distance) P-C4' energy: -143.053
flat angles C4'-P-C4' energy: -137.555
flat angles P-C4'-P energy: -107.265
tors. eta vs tors. theta energy: -152.067
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2007.768030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.768030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.207216 (E_RNA)
where:
Base-Base interactions energy: -1355.261
where: short stacking energy: -576.038
Base-Backbone interact. energy: -1.900
local terms energy: -654.046524
where:
bonds (distance) C4'-P energy: -127.294
bonds (distance) P-C4' energy: -150.298
flat angles C4'-P-C4' energy: -132.384
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -150.977
Dist. restrs. and SS energy: 3.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1878.601879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.601879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.922684 (E_RNA)
where:
Base-Base interactions energy: -1259.563
where: short stacking energy: -526.922
Base-Backbone interact. energy: -0.786
local terms energy: -624.573471
where:
bonds (distance) C4'-P energy: -137.075
bonds (distance) P-C4' energy: -135.865
flat angles C4'-P-C4' energy: -139.280
flat angles P-C4'-P energy: -86.830
tors. eta vs tors. theta energy: -125.523
Dist. restrs. and SS energy: 6.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1830.824309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.824309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.026212 (E_RNA)
where:
Base-Base interactions energy: -1216.083
where: short stacking energy: -492.685
Base-Backbone interact. energy: -1.384
local terms energy: -620.558712
where:
bonds (distance) C4'-P energy: -150.782
bonds (distance) P-C4' energy: -127.065
flat angles C4'-P-C4' energy: -139.609
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -114.279
Dist. restrs. and SS energy: 7.202 (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: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2744.868517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.868517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.038518 (E_RNA)
where:
Base-Base interactions energy: -1901.089
where: short stacking energy: -813.579
Base-Backbone interact. energy: -1.948
local terms energy: -845.001738
where:
bonds (distance) C4'-P energy: -169.419
bonds (distance) P-C4' energy: -159.273
flat angles C4'-P-C4' energy: -188.169
flat angles P-C4'-P energy: -110.496
tors. eta vs tors. theta energy: -217.644
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2658.410531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.410531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.521665 (E_RNA)
where:
Base-Base interactions energy: -1832.570
where: short stacking energy: -771.437
Base-Backbone interact. energy: -2.399
local terms energy: -824.552767
where:
bonds (distance) C4'-P energy: -151.150
bonds (distance) P-C4' energy: -166.969
flat angles C4'-P-C4' energy: -170.205
flat angles P-C4'-P energy: -118.950
tors. eta vs tors. theta energy: -217.279
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: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2612.382761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.382761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.635572 (E_RNA)
where:
Base-Base interactions energy: -1775.197
where: short stacking energy: -734.060
Base-Backbone interact. energy: -0.973
local terms energy: -838.465781
where:
bonds (distance) C4'-P energy: -162.384
bonds (distance) P-C4' energy: -157.222
flat angles C4'-P-C4' energy: -167.794
flat angles P-C4'-P energy: -129.679
tors. eta vs tors. theta energy: -221.386
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2437.206727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.206727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.081608 (E_RNA)
where:
Base-Base interactions energy: -1635.697
where: short stacking energy: -690.395
Base-Backbone interact. energy: 3.412
local terms energy: -806.796177
where:
bonds (distance) C4'-P energy: -158.609
bonds (distance) P-C4' energy: -157.097
flat angles C4'-P-C4' energy: -168.063
flat angles P-C4'-P energy: -118.537
tors. eta vs tors. theta energy: -204.491
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: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2259.223931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.223931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.325160 (E_RNA)
where:
Base-Base interactions energy: -1525.280
where: short stacking energy: -652.036
Base-Backbone interact. energy: -0.133
local terms energy: -735.911817
where:
bonds (distance) C4'-P energy: -146.035
bonds (distance) P-C4' energy: -158.161
flat angles C4'-P-C4' energy: -161.991
flat angles P-C4'-P energy: -89.211
tors. eta vs tors. theta energy: -180.514
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: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2188.441340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.441340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.827826 (E_RNA)
where:
Base-Base interactions energy: -1486.359
where: short stacking energy: -647.422
Base-Backbone interact. energy: 2.231
local terms energy: -705.699758
where:
bonds (distance) C4'-P energy: -140.928
bonds (distance) P-C4' energy: -145.331
flat angles C4'-P-C4' energy: -161.937
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -152.070
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2114.011827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.011827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.848491 (E_RNA)
where:
Base-Base interactions energy: -1415.272
where: short stacking energy: -605.378
Base-Backbone interact. energy: 6.465
local terms energy: -707.041121
where:
bonds (distance) C4'-P energy: -125.496
bonds (distance) P-C4' energy: -145.662
flat angles C4'-P-C4' energy: -156.407
flat angles P-C4'-P energy: -108.194
tors. eta vs tors. theta energy: -171.283
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: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2041.863081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.863081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.507719 (E_RNA)
where:
Base-Base interactions energy: -1388.044
where: short stacking energy: -590.980
Base-Backbone interact. energy: -0.845
local terms energy: -655.619460
where:
bonds (distance) C4'-P energy: -111.461
bonds (distance) P-C4' energy: -148.719
flat angles C4'-P-C4' energy: -154.357
flat angles P-C4'-P energy: -86.282
tors. eta vs tors. theta energy: -154.802
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: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1916.293556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.293556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.973366 (E_RNA)
where:
Base-Base interactions energy: -1273.385
where: short stacking energy: -542.429
Base-Backbone interact. energy: -0.755
local terms energy: -648.833623
where:
bonds (distance) C4'-P energy: -142.145
bonds (distance) P-C4' energy: -148.362
flat angles C4'-P-C4' energy: -150.796
flat angles P-C4'-P energy: -87.031
tors. eta vs tors. theta energy: -120.500
Dist. restrs. and SS energy: 6.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1777.703451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.703451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.030890 (E_RNA)
where:
Base-Base interactions energy: -1227.869
where: short stacking energy: -506.254
Base-Backbone interact. energy: 2.960
local terms energy: -561.121670
where:
bonds (distance) C4'-P energy: -110.842
bonds (distance) P-C4' energy: -142.723
flat angles C4'-P-C4' energy: -126.751
flat angles P-C4'-P energy: -60.759
tors. eta vs tors. theta energy: -120.046
Dist. restrs. and SS energy: 8.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2742.108846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.108846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.772362 (E_RNA)
where:
Base-Base interactions energy: -1871.913
where: short stacking energy: -823.417
Base-Backbone interact. energy: -1.604
local terms energy: -871.255846
where:
bonds (distance) C4'-P energy: -167.866
bonds (distance) P-C4' energy: -163.811
flat angles C4'-P-C4' energy: -176.477
flat angles P-C4'-P energy: -126.216
tors. eta vs tors. theta energy: -236.886
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2684.602006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.602006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.929470 (E_RNA)
where:
Base-Base interactions energy: -1811.868
where: short stacking energy: -785.255
Base-Backbone interact. energy: -0.297
local terms energy: -874.764657
where:
bonds (distance) C4'-P energy: -164.514
bonds (distance) P-C4' energy: -158.674
flat angles C4'-P-C4' energy: -178.145
flat angles P-C4'-P energy: -138.757
tors. eta vs tors. theta energy: -234.675
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2571.116883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.116883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.316655 (E_RNA)
where:
Base-Base interactions energy: -1771.181
where: short stacking energy: -783.444
Base-Backbone interact. energy: -0.768
local terms energy: -800.367758
where:
bonds (distance) C4'-P energy: -147.172
bonds (distance) P-C4' energy: -155.094
flat angles C4'-P-C4' energy: -172.015
flat angles P-C4'-P energy: -114.804
tors. eta vs tors. theta energy: -211.282
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2410.076248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.076248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.538302 (E_RNA)
where:
Base-Base interactions energy: -1636.337
where: short stacking energy: -715.991
Base-Backbone interact. energy: 1.020
local terms energy: -776.221277
where:
bonds (distance) C4'-P energy: -155.694
bonds (distance) P-C4' energy: -148.961
flat angles C4'-P-C4' energy: -165.606
flat angles P-C4'-P energy: -101.361
tors. eta vs tors. theta energy: -204.600
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: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2265.316436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.316436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.558681 (E_RNA)
where:
Base-Base interactions energy: -1520.403
where: short stacking energy: -669.033
Base-Backbone interact. energy: -6.477
local terms energy: -740.678874
where:
bonds (distance) C4'-P energy: -142.690
bonds (distance) P-C4' energy: -136.963
flat angles C4'-P-C4' energy: -168.525
flat angles P-C4'-P energy: -107.331
tors. eta vs tors. theta energy: -185.169
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2155.379208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.379208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.130072 (E_RNA)
where:
Base-Base interactions energy: -1473.478
where: short stacking energy: -634.088
Base-Backbone interact. energy: 2.274
local terms energy: -685.926497
where:
bonds (distance) C4'-P energy: -115.389
bonds (distance) P-C4' energy: -148.425
flat angles C4'-P-C4' energy: -161.354
flat angles P-C4'-P energy: -93.605
tors. eta vs tors. theta energy: -167.154
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: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2083.096499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.096499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.630507 (E_RNA)
where:
Base-Base interactions energy: -1388.909
where: short stacking energy: -602.004
Base-Backbone interact. energy: 2.443
local terms energy: -699.164990
where:
bonds (distance) C4'-P energy: -145.380
bonds (distance) P-C4' energy: -143.755
flat angles C4'-P-C4' energy: -146.815
flat angles P-C4'-P energy: -101.871
tors. eta vs tors. theta energy: -161.344
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: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2002.742379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.742379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.021859 (E_RNA)
where:
Base-Base interactions energy: -1336.095
where: short stacking energy: -546.166
Base-Backbone interact. energy: -2.612
local terms energy: -668.314778
where:
bonds (distance) C4'-P energy: -126.015
bonds (distance) P-C4' energy: -149.484
flat angles C4'-P-C4' energy: -150.249
flat angles P-C4'-P energy: -100.093
tors. eta vs tors. theta energy: -142.474
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: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1905.686398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.686398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.430005 (E_RNA)
where:
Base-Base interactions energy: -1289.927
where: short stacking energy: -559.481
Base-Backbone interact. energy: 2.649
local terms energy: -623.151516
where:
bonds (distance) C4'-P energy: -137.316
bonds (distance) P-C4' energy: -131.858
flat angles C4'-P-C4' energy: -137.348
flat angles P-C4'-P energy: -75.579
tors. eta vs tors. theta energy: -141.050
Dist. restrs. and SS energy: 4.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1846.833375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.833375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.744174 (E_RNA)
where:
Base-Base interactions energy: -1275.908
where: short stacking energy: -507.499
Base-Backbone interact. energy: -0.269
local terms energy: -572.567031
where:
bonds (distance) C4'-P energy: -115.000
bonds (distance) P-C4' energy: -127.957
flat angles C4'-P-C4' energy: -128.604
flat angles P-C4'-P energy: -79.512
tors. eta vs tors. theta energy: -121.494
Dist. restrs. and SS energy: 1.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2764.276235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.276235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.419957 (E_RNA)
where:
Base-Base interactions energy: -1901.369
where: short stacking energy: -826.431
Base-Backbone interact. energy: -0.895
local terms energy: -865.155691
where:
bonds (distance) C4'-P energy: -175.616
bonds (distance) P-C4' energy: -159.989
flat angles C4'-P-C4' energy: -176.308
flat angles P-C4'-P energy: -125.111
tors. eta vs tors. theta energy: -228.132
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2659.899683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.899683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.429094 (E_RNA)
where:
Base-Base interactions energy: -1827.220
where: short stacking energy: -772.917
Base-Backbone interact. energy: -2.277
local terms energy: -831.932014
where:
bonds (distance) C4'-P energy: -160.255
bonds (distance) P-C4' energy: -145.935
flat angles C4'-P-C4' energy: -178.145
flat angles P-C4'-P energy: -122.521
tors. eta vs tors. theta energy: -225.077
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: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2598.020026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.020026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.669293 (E_RNA)
where:
Base-Base interactions energy: -1782.177
where: short stacking energy: -762.222
Base-Backbone interact. energy: -0.888
local terms energy: -818.603514
where:
bonds (distance) C4'-P energy: -161.163
bonds (distance) P-C4' energy: -153.390
flat angles C4'-P-C4' energy: -170.779
flat angles P-C4'-P energy: -118.351
tors. eta vs tors. theta energy: -214.921
Dist. restrs. and SS energy: 3.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2406.437782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.437782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.137842 (E_RNA)
where:
Base-Base interactions energy: -1643.956
where: short stacking energy: -713.841
Base-Backbone interact. energy: -0.883
local terms energy: -764.298642
where:
bonds (distance) C4'-P energy: -142.263
bonds (distance) P-C4' energy: -136.171
flat angles C4'-P-C4' energy: -165.072
flat angles P-C4'-P energy: -126.638
tors. eta vs tors. theta energy: -194.155
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: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2274.551145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.551145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.125556 (E_RNA)
where:
Base-Base interactions energy: -1524.021
where: short stacking energy: -694.612
Base-Backbone interact. energy: -2.145
local terms energy: -749.959681
where:
bonds (distance) C4'-P energy: -139.412
bonds (distance) P-C4' energy: -142.629
flat angles C4'-P-C4' energy: -174.385
flat angles P-C4'-P energy: -108.517
tors. eta vs tors. theta energy: -185.016
Dist. restrs. and SS energy: 1.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2216.163220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.163220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.989985 (E_RNA)
where:
Base-Base interactions energy: -1495.164
where: short stacking energy: -638.706
Base-Backbone interact. energy: -3.736
local terms energy: -720.090009
where:
bonds (distance) C4'-P energy: -141.652
bonds (distance) P-C4' energy: -139.802
flat angles C4'-P-C4' energy: -164.001
flat angles P-C4'-P energy: -103.379
tors. eta vs tors. theta energy: -171.256
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: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2072.470168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.470168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.203648 (E_RNA)
where:
Base-Base interactions energy: -1416.617
where: short stacking energy: -600.676
Base-Backbone interact. energy: -1.860
local terms energy: -655.726724
where:
bonds (distance) C4'-P energy: -147.752
bonds (distance) P-C4' energy: -138.990
flat angles C4'-P-C4' energy: -132.993
flat angles P-C4'-P energy: -89.141
tors. eta vs tors. theta energy: -146.851
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1998.592516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.592516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.178950 (E_RNA)
where:
Base-Base interactions energy: -1350.455
where: short stacking energy: -571.774
Base-Backbone interact. energy: -4.204
local terms energy: -646.520551
where:
bonds (distance) C4'-P energy: -155.240
bonds (distance) P-C4' energy: -120.915
flat angles C4'-P-C4' energy: -148.342
flat angles P-C4'-P energy: -84.900
tors. eta vs tors. theta energy: -137.124
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1964.319708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.319708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.796468 (E_RNA)
where:
Base-Base interactions energy: -1270.856
where: short stacking energy: -535.179
Base-Backbone interact. energy: -1.758
local terms energy: -694.182474
where:
bonds (distance) C4'-P energy: -128.182
bonds (distance) P-C4' energy: -143.565
flat angles C4'-P-C4' energy: -169.060
flat angles P-C4'-P energy: -100.288
tors. eta vs tors. theta energy: -153.088
Dist. restrs. and SS energy: 2.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1884.669035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.669035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.462585 (E_RNA)
where:
Base-Base interactions energy: -1284.012
where: short stacking energy: -555.046
Base-Backbone interact. energy: 6.203
local terms energy: -609.653403
where:
bonds (distance) C4'-P energy: -114.647
bonds (distance) P-C4' energy: -116.653
flat angles C4'-P-C4' energy: -147.093
flat angles P-C4'-P energy: -96.382
tors. eta vs tors. theta energy: -134.879
Dist. restrs. and SS energy: 2.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2725.636090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.636090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.539474 (E_RNA)
where:
Base-Base interactions energy: -1855.717
where: short stacking energy: -804.227
Base-Backbone interact. energy: -2.349
local terms energy: -869.472915
where:
bonds (distance) C4'-P energy: -170.248
bonds (distance) P-C4' energy: -164.054
flat angles C4'-P-C4' energy: -183.058
flat angles P-C4'-P energy: -126.642
tors. eta vs tors. theta energy: -225.470
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: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2654.098578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.098578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.742710 (E_RNA)
where:
Base-Base interactions energy: -1824.897
where: short stacking energy: -775.771
Base-Backbone interact. energy: -5.994
local terms energy: -824.851935
where:
bonds (distance) C4'-P energy: -143.783
bonds (distance) P-C4' energy: -162.718
flat angles C4'-P-C4' energy: -176.960
flat angles P-C4'-P energy: -113.472
tors. eta vs tors. theta energy: -227.919
Dist. restrs. and SS energy: 1.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2624.414757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.414757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.119782 (E_RNA)
where:
Base-Base interactions energy: -1805.104
where: short stacking energy: -744.241
Base-Backbone interact. energy: -1.671
local terms energy: -819.344553
where:
bonds (distance) C4'-P energy: -159.211
bonds (distance) P-C4' energy: -145.283
flat angles C4'-P-C4' energy: -173.463
flat angles P-C4'-P energy: -111.887
tors. eta vs tors. theta energy: -229.501
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: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2377.492736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.492736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.770362 (E_RNA)
where:
Base-Base interactions energy: -1607.608
where: short stacking energy: -674.292
Base-Backbone interact. energy: -3.748
local terms energy: -768.414320
where:
bonds (distance) C4'-P energy: -142.660
bonds (distance) P-C4' energy: -150.657
flat angles C4'-P-C4' energy: -170.832
flat angles P-C4'-P energy: -113.148
tors. eta vs tors. theta energy: -191.118
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: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2263.982636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.982636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.872219 (E_RNA)
where:
Base-Base interactions energy: -1511.458
where: short stacking energy: -678.746
Base-Backbone interact. energy: -2.755
local terms energy: -751.658788
where:
bonds (distance) C4'-P energy: -132.801
bonds (distance) P-C4' energy: -152.776
flat angles C4'-P-C4' energy: -171.311
flat angles P-C4'-P energy: -109.416
tors. eta vs tors. theta energy: -185.355
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2144.097201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.097201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.407222 (E_RNA)
where:
Base-Base interactions energy: -1451.385
where: short stacking energy: -649.877
Base-Backbone interact. energy: -3.350
local terms energy: -691.671815
where:
bonds (distance) C4'-P energy: -121.479
bonds (distance) P-C4' energy: -137.022
flat angles C4'-P-C4' energy: -164.327
flat angles P-C4'-P energy: -102.031
tors. eta vs tors. theta energy: -166.812
Dist. restrs. and SS energy: 2.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2100.197656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.197656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.607063 (E_RNA)
where:
Base-Base interactions energy: -1399.914
where: short stacking energy: -601.061
Base-Backbone interact. energy: -0.880
local terms energy: -703.813658
where:
bonds (distance) C4'-P energy: -149.726
bonds (distance) P-C4' energy: -149.661
flat angles C4'-P-C4' energy: -156.677
flat angles P-C4'-P energy: -101.703
tors. eta vs tors. theta energy: -146.046
Dist. restrs. and SS energy: 4.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1939.514028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.514028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.712668 (E_RNA)
where:
Base-Base interactions energy: -1313.752
where: short stacking energy: -569.847
Base-Backbone interact. energy: 2.749
local terms energy: -630.710210
where:
bonds (distance) C4'-P energy: -118.504
bonds (distance) P-C4' energy: -129.127
flat angles C4'-P-C4' energy: -144.305
flat angles P-C4'-P energy: -84.558
tors. eta vs tors. theta energy: -154.216
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1940.834963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.834963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.293669 (E_RNA)
where:
Base-Base interactions energy: -1329.589
where: short stacking energy: -529.294
Base-Backbone interact. energy: 8.761
local terms energy: -624.465937
where:
bonds (distance) C4'-P energy: -139.608
bonds (distance) P-C4' energy: -148.787
flat angles C4'-P-C4' energy: -132.526
flat angles P-C4'-P energy: -83.949
tors. eta vs tors. theta energy: -119.596
Dist. restrs. and SS energy: 4.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1840.256518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.256518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.312690 (E_RNA)
where:
Base-Base interactions energy: -1287.845
where: short stacking energy: -521.549
Base-Backbone interact. energy: 6.711
local terms energy: -561.178744
where:
bonds (distance) C4'-P energy: -123.818
bonds (distance) P-C4' energy: -119.694
flat angles C4'-P-C4' energy: -146.519
flat angles P-C4'-P energy: -72.204
tors. eta vs tors. theta energy: -98.944
Dist. restrs. and SS energy: 2.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2746.950768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.950768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.144910 (E_RNA)
where:
Base-Base interactions energy: -1863.527
where: short stacking energy: -792.215
Base-Backbone interact. energy: 0.101
local terms energy: -885.718476
where:
bonds (distance) C4'-P energy: -153.866
bonds (distance) P-C4' energy: -158.734
flat angles C4'-P-C4' energy: -197.757
flat angles P-C4'-P energy: -141.758
tors. eta vs tors. theta energy: -233.604
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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2697.736153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.736153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.379086 (E_RNA)
where:
Base-Base interactions energy: -1853.778
where: short stacking energy: -783.324
Base-Backbone interact. energy: -4.879
local terms energy: -841.721886
where:
bonds (distance) C4'-P energy: -163.922
bonds (distance) P-C4' energy: -158.545
flat angles C4'-P-C4' energy: -187.232
flat angles P-C4'-P energy: -108.620
tors. eta vs tors. theta energy: -223.402
Dist. restrs. and SS energy: 2.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2638.981922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.981922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.094263 (E_RNA)
where:
Base-Base interactions energy: -1802.695
where: short stacking energy: -775.148
Base-Backbone interact. energy: -3.659
local terms energy: -834.740552
where:
bonds (distance) C4'-P energy: -163.149
bonds (distance) P-C4' energy: -151.169
flat angles C4'-P-C4' energy: -176.983
flat angles P-C4'-P energy: -118.121
tors. eta vs tors. theta energy: -225.319
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2391.465397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.465397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.665312 (E_RNA)
where:
Base-Base interactions energy: -1653.920
where: short stacking energy: -684.092
Base-Backbone interact. energy: -2.696
local terms energy: -736.049046
where:
bonds (distance) C4'-P energy: -131.812
bonds (distance) P-C4' energy: -141.080
flat angles C4'-P-C4' energy: -165.903
flat angles P-C4'-P energy: -103.964
tors. eta vs tors. theta energy: -193.291
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2237.996750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.996750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.879956 (E_RNA)
where:
Base-Base interactions energy: -1525.922
where: short stacking energy: -687.462
Base-Backbone interact. energy: -2.315
local terms energy: -711.643010
where:
bonds (distance) C4'-P energy: -121.343
bonds (distance) P-C4' energy: -143.275
flat angles C4'-P-C4' energy: -166.577
flat angles P-C4'-P energy: -114.966
tors. eta vs tors. theta energy: -165.482
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: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2137.585262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.585262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.733020 (E_RNA)
where:
Base-Base interactions energy: -1445.448
where: short stacking energy: -646.256
Base-Backbone interact. energy: 4.675
local terms energy: -698.960351
where:
bonds (distance) C4'-P energy: -122.292
bonds (distance) P-C4' energy: -157.188
flat angles C4'-P-C4' energy: -150.809
flat angles P-C4'-P energy: -96.156
tors. eta vs tors. theta energy: -172.515
Dist. restrs. and SS energy: 2.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2093.654441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.654441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.624080 (E_RNA)
where:
Base-Base interactions energy: -1408.229
where: short stacking energy: -600.839
Base-Backbone interact. energy: -0.404
local terms energy: -687.991083
where:
bonds (distance) C4'-P energy: -117.996
bonds (distance) P-C4' energy: -136.541
flat angles C4'-P-C4' energy: -163.637
flat angles P-C4'-P energy: -110.675
tors. eta vs tors. theta energy: -159.142
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1998.876036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.876036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.933932 (E_RNA)
where:
Base-Base interactions energy: -1343.749
where: short stacking energy: -567.853
Base-Backbone interact. energy: 5.357
local terms energy: -663.542368
where:
bonds (distance) C4'-P energy: -144.960
bonds (distance) P-C4' energy: -145.872
flat angles C4'-P-C4' energy: -151.134
flat angles P-C4'-P energy: -91.986
tors. eta vs tors. theta energy: -129.590
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1955.054186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.054186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.093581 (E_RNA)
where:
Base-Base interactions energy: -1327.019
where: short stacking energy: -543.858
Base-Backbone interact. energy: 6.678
local terms energy: -637.752048
where:
bonds (distance) C4'-P energy: -112.814
bonds (distance) P-C4' energy: -137.926
flat angles C4'-P-C4' energy: -152.062
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -143.215
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: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1812.606725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.606725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.910065 (E_RNA)
where:
Base-Base interactions energy: -1238.684
where: short stacking energy: -507.698
Base-Backbone interact. energy: -1.957
local terms energy: -575.269453
where:
bonds (distance) C4'-P energy: -129.702
bonds (distance) P-C4' energy: -132.633
flat angles C4'-P-C4' energy: -109.850
flat angles P-C4'-P energy: -82.365
tors. eta vs tors. theta energy: -120.720
Dist. restrs. and SS energy: 3.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2728.175439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.175439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.803433 (E_RNA)
where:
Base-Base interactions energy: -1858.576
where: short stacking energy: -810.470
Base-Backbone interact. energy: -2.371
local terms energy: -869.856873
where:
bonds (distance) C4'-P energy: -164.976
bonds (distance) P-C4' energy: -162.070
flat angles C4'-P-C4' energy: -189.220
flat angles P-C4'-P energy: -121.994
tors. eta vs tors. theta energy: -231.597
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: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2703.585531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.585531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.667103 (E_RNA)
where:
Base-Base interactions energy: -1853.528
where: short stacking energy: -789.078
Base-Backbone interact. energy: -0.887
local terms energy: -852.251883
where:
bonds (distance) C4'-P energy: -155.939
bonds (distance) P-C4' energy: -165.587
flat angles C4'-P-C4' energy: -177.439
flat angles P-C4'-P energy: -118.832
tors. eta vs tors. theta energy: -234.455
Dist. restrs. and SS energy: 3.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2603.999171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.999171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.448915 (E_RNA)
where:
Base-Base interactions energy: -1821.840
where: short stacking energy: -770.160
Base-Backbone interact. energy: 0.039
local terms energy: -783.647841
where:
bonds (distance) C4'-P energy: -152.626
bonds (distance) P-C4' energy: -130.756
flat angles C4'-P-C4' energy: -184.045
flat angles P-C4'-P energy: -88.885
tors. eta vs tors. theta energy: -227.336
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2376.518596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.518596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.197135 (E_RNA)
where:
Base-Base interactions energy: -1592.006
where: short stacking energy: -718.576
Base-Backbone interact. energy: -5.834
local terms energy: -780.357507
where:
bonds (distance) C4'-P energy: -164.179
bonds (distance) P-C4' energy: -134.140
flat angles C4'-P-C4' energy: -165.045
flat angles P-C4'-P energy: -113.994
tors. eta vs tors. theta energy: -203.000
Dist. restrs. and SS energy: 1.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2291.890182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.890182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.650107 (E_RNA)
where:
Base-Base interactions energy: -1511.195
where: short stacking energy: -685.445
Base-Backbone interact. energy: -1.588
local terms energy: -780.867393
where:
bonds (distance) C4'-P energy: -149.173
bonds (distance) P-C4' energy: -165.928
flat angles C4'-P-C4' energy: -162.409
flat angles P-C4'-P energy: -107.470
tors. eta vs tors. theta energy: -195.888
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: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2132.030808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.030808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.089856 (E_RNA)
where:
Base-Base interactions energy: -1415.889
where: short stacking energy: -608.671
Base-Backbone interact. energy: -2.161
local terms energy: -717.039743
where:
bonds (distance) C4'-P energy: -155.657
bonds (distance) P-C4' energy: -128.298
flat angles C4'-P-C4' energy: -154.785
flat angles P-C4'-P energy: -105.608
tors. eta vs tors. theta energy: -172.691
Dist. restrs. and SS energy: 3.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2117.270464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.270464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.039409 (E_RNA)
where:
Base-Base interactions energy: -1434.430
where: short stacking energy: -628.639
Base-Backbone interact. energy: -1.416
local terms energy: -684.193363
where:
bonds (distance) C4'-P energy: -126.533
bonds (distance) P-C4' energy: -145.601
flat angles C4'-P-C4' energy: -149.000
flat angles P-C4'-P energy: -94.176
tors. eta vs tors. theta energy: -168.883
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2002.024488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.024488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.038935 (E_RNA)
where:
Base-Base interactions energy: -1377.876
where: short stacking energy: -575.702
Base-Backbone interact. energy: -1.701
local terms energy: -625.462222
where:
bonds (distance) C4'-P energy: -115.950
bonds (distance) P-C4' energy: -142.523
flat angles C4'-P-C4' energy: -142.627
flat angles P-C4'-P energy: -86.816
tors. eta vs tors. theta energy: -137.547
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: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1919.136648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.136648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.289366 (E_RNA)
where:
Base-Base interactions energy: -1320.570
where: short stacking energy: -554.383
Base-Backbone interact. energy: 5.663
local terms energy: -606.382181
where:
bonds (distance) C4'-P energy: -132.660
bonds (distance) P-C4' energy: -106.188
flat angles C4'-P-C4' energy: -135.004
flat angles P-C4'-P energy: -89.823
tors. eta vs tors. theta energy: -142.707
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: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1877.397194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.397194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.792196 (E_RNA)
where:
Base-Base interactions energy: -1236.835
where: short stacking energy: -496.356
Base-Backbone interact. energy: -0.643
local terms energy: -642.313813
where:
bonds (distance) C4'-P energy: -139.638
bonds (distance) P-C4' energy: -130.281
flat angles C4'-P-C4' energy: -158.949
flat angles P-C4'-P energy: -86.007
tors. eta vs tors. theta energy: -127.439
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: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2752.353159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.353159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.358451 (E_RNA)
where:
Base-Base interactions energy: -1872.656
where: short stacking energy: -807.335
Base-Backbone interact. energy: -1.216
local terms energy: -881.486208
where:
bonds (distance) C4'-P energy: -153.649
bonds (distance) P-C4' energy: -157.382
flat angles C4'-P-C4' energy: -189.893
flat angles P-C4'-P energy: -142.305
tors. eta vs tors. theta energy: -238.258
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2690.427635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.427635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.174649 (E_RNA)
where:
Base-Base interactions energy: -1842.208
where: short stacking energy: -806.652
Base-Backbone interact. energy: -4.087
local terms energy: -846.879848
where:
bonds (distance) C4'-P energy: -165.430
bonds (distance) P-C4' energy: -158.362
flat angles C4'-P-C4' energy: -178.781
flat angles P-C4'-P energy: -117.959
tors. eta vs tors. theta energy: -226.348
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: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2612.064775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.064775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.883847 (E_RNA)
where:
Base-Base interactions energy: -1798.356
where: short stacking energy: -764.179
Base-Backbone interact. energy: -3.389
local terms energy: -812.138250
where:
bonds (distance) C4'-P energy: -157.517
bonds (distance) P-C4' energy: -156.473
flat angles C4'-P-C4' energy: -174.099
flat angles P-C4'-P energy: -105.139
tors. eta vs tors. theta energy: -218.911
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: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2395.670226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.670226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.458721 (E_RNA)
where:
Base-Base interactions energy: -1621.359
where: short stacking energy: -706.350
Base-Backbone interact. energy: -0.331
local terms energy: -775.768714
where:
bonds (distance) C4'-P energy: -148.368
bonds (distance) P-C4' energy: -146.299
flat angles C4'-P-C4' energy: -176.692
flat angles P-C4'-P energy: -104.697
tors. eta vs tors. theta energy: -199.713
Dist. restrs. and SS energy: 1.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2305.769218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.769218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.193568 (E_RNA)
where:
Base-Base interactions energy: -1545.750
where: short stacking energy: -667.982
Base-Backbone interact. energy: -0.138
local terms energy: -762.305211
where:
bonds (distance) C4'-P energy: -144.312
bonds (distance) P-C4' energy: -151.521
flat angles C4'-P-C4' energy: -163.252
flat angles P-C4'-P energy: -116.903
tors. eta vs tors. theta energy: -186.317
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: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2113.981019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.981019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.908072 (E_RNA)
where:
Base-Base interactions energy: -1445.063
where: short stacking energy: -609.440
Base-Backbone interact. energy: 5.842
local terms energy: -677.687230
where:
bonds (distance) C4'-P energy: -140.187
bonds (distance) P-C4' energy: -128.940
flat angles C4'-P-C4' energy: -155.795
flat angles P-C4'-P energy: -86.905
tors. eta vs tors. theta energy: -165.861
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2117.178315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.178315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.885014 (E_RNA)
where:
Base-Base interactions energy: -1475.641
where: short stacking energy: -624.431
Base-Backbone interact. energy: -1.197
local terms energy: -643.047614
where:
bonds (distance) C4'-P energy: -94.958
bonds (distance) P-C4' energy: -125.951
flat angles C4'-P-C4' energy: -149.582
flat angles P-C4'-P energy: -107.398
tors. eta vs tors. theta energy: -165.158
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: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2008.267295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.267295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.746377 (E_RNA)
where:
Base-Base interactions energy: -1330.621
where: short stacking energy: -571.882
Base-Backbone interact. energy: -3.542
local terms energy: -676.582929
where:
bonds (distance) C4'-P energy: -129.570
bonds (distance) P-C4' energy: -145.811
flat angles C4'-P-C4' energy: -143.535
flat angles P-C4'-P energy: -102.324
tors. eta vs tors. theta energy: -155.343
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1891.906485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.906485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.371717 (E_RNA)
where:
Base-Base interactions energy: -1282.381
where: short stacking energy: -537.503
Base-Backbone interact. energy: -1.052
local terms energy: -613.938321
where:
bonds (distance) C4'-P energy: -135.531
bonds (distance) P-C4' energy: -126.533
flat angles C4'-P-C4' energy: -136.303
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -140.791
Dist. restrs. and SS energy: 5.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1883.711389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.711389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.203651 (E_RNA)
where:
Base-Base interactions energy: -1286.489
where: short stacking energy: -522.226
Base-Backbone interact. energy: -1.389
local terms energy: -598.325402
where:
bonds (distance) C4'-P energy: -132.151
bonds (distance) P-C4' energy: -108.108
flat angles C4'-P-C4' energy: -135.181
flat angles P-C4'-P energy: -89.926
tors. eta vs tors. theta energy: -132.960
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: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2758.815818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.815818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.809816 (E_RNA)
where:
Base-Base interactions energy: -1870.837
where: short stacking energy: -831.947
Base-Backbone interact. energy: -4.475
local terms energy: -885.498026
where:
bonds (distance) C4'-P energy: -168.321
bonds (distance) P-C4' energy: -167.949
flat angles C4'-P-C4' energy: -189.429
flat angles P-C4'-P energy: -118.277
tors. eta vs tors. theta energy: -241.522
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2715.823104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.823104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.070617 (E_RNA)
where:
Base-Base interactions energy: -1869.166
where: short stacking energy: -803.426
Base-Backbone interact. energy: -1.596
local terms energy: -847.308371
where:
bonds (distance) C4'-P energy: -149.566
bonds (distance) P-C4' energy: -164.261
flat angles C4'-P-C4' energy: -180.484
flat angles P-C4'-P energy: -128.309
tors. eta vs tors. theta energy: -224.689
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: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2625.754757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.754757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.049553 (E_RNA)
where:
Base-Base interactions energy: -1834.713
where: short stacking energy: -767.492
Base-Backbone interact. energy: -0.563
local terms energy: -792.773787
where:
bonds (distance) C4'-P energy: -146.311
bonds (distance) P-C4' energy: -149.924
flat angles C4'-P-C4' energy: -168.045
flat angles P-C4'-P energy: -116.246
tors. eta vs tors. theta energy: -212.249
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: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2389.538553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.538553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.124410 (E_RNA)
where:
Base-Base interactions energy: -1627.465
where: short stacking energy: -701.675
Base-Backbone interact. energy: -2.155
local terms energy: -762.504248
where:
bonds (distance) C4'-P energy: -137.630
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -171.994
flat angles P-C4'-P energy: -122.862
tors. eta vs tors. theta energy: -190.795
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2332.866478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.866478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.174223 (E_RNA)
where:
Base-Base interactions energy: -1611.945
where: short stacking energy: -695.166
Base-Backbone interact. energy: -2.391
local terms energy: -720.837465
where:
bonds (distance) C4'-P energy: -120.920
bonds (distance) P-C4' energy: -133.618
flat angles C4'-P-C4' energy: -169.769
flat angles P-C4'-P energy: -113.695
tors. eta vs tors. theta energy: -182.836
Dist. restrs. and SS energy: 2.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2169.117342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.117342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.548011 (E_RNA)
where:
Base-Base interactions energy: -1463.948
where: short stacking energy: -656.047
Base-Backbone interact. energy: 9.624
local terms energy: -718.223949
where:
bonds (distance) C4'-P energy: -151.700
bonds (distance) P-C4' energy: -135.218
flat angles C4'-P-C4' energy: -161.880
flat angles P-C4'-P energy: -88.425
tors. eta vs tors. theta energy: -181.001
Dist. restrs. and SS energy: 3.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2121.111137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.111137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.631208 (E_RNA)
where:
Base-Base interactions energy: -1444.380
where: short stacking energy: -609.967
Base-Backbone interact. energy: 0.423
local terms energy: -680.674339
where:
bonds (distance) C4'-P energy: -146.173
bonds (distance) P-C4' energy: -128.109
flat angles C4'-P-C4' energy: -152.183
flat angles P-C4'-P energy: -95.772
tors. eta vs tors. theta energy: -158.437
Dist. restrs. and SS energy: 3.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1981.379519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.379519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.703944 (E_RNA)
where:
Base-Base interactions energy: -1330.651
where: short stacking energy: -600.747
Base-Backbone interact. energy: -1.686
local terms energy: -655.366442
where:
bonds (distance) C4'-P energy: -127.003
bonds (distance) P-C4' energy: -127.498
flat angles C4'-P-C4' energy: -146.555
flat angles P-C4'-P energy: -87.159
tors. eta vs tors. theta energy: -167.152
Dist. restrs. and SS energy: 6.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1919.210524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.210524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.805711 (E_RNA)
where:
Base-Base interactions energy: -1334.690
where: short stacking energy: -572.189
Base-Backbone interact. energy: 2.674
local terms energy: -589.789711
where:
bonds (distance) C4'-P energy: -103.484
bonds (distance) P-C4' energy: -130.678
flat angles C4'-P-C4' energy: -121.783
flat angles P-C4'-P energy: -83.163
tors. eta vs tors. theta energy: -150.680
Dist. restrs. and SS energy: 2.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1834.548322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.548322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.731489 (E_RNA)
where:
Base-Base interactions energy: -1246.184
where: short stacking energy: -499.897
Base-Backbone interact. energy: -2.551
local terms energy: -589.996473
where:
bonds (distance) C4'-P energy: -131.538
bonds (distance) P-C4' energy: -138.018
flat angles C4'-P-C4' energy: -130.294
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -112.597
Dist. restrs. and SS energy: 4.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2794.227852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.227852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.929193 (E_RNA)
where:
Base-Base interactions energy: -1911.510
where: short stacking energy: -837.468
Base-Backbone interact. energy: 1.451
local terms energy: -885.869902
where:
bonds (distance) C4'-P energy: -152.816
bonds (distance) P-C4' energy: -171.458
flat angles C4'-P-C4' energy: -181.060
flat angles P-C4'-P energy: -132.158
tors. eta vs tors. theta energy: -248.379
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: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2691.784139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.784139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.369013 (E_RNA)
where:
Base-Base interactions energy: -1837.242
where: short stacking energy: -804.790
Base-Backbone interact. energy: -1.025
local terms energy: -856.101584
where:
bonds (distance) C4'-P energy: -150.126
bonds (distance) P-C4' energy: -162.070
flat angles C4'-P-C4' energy: -183.296
flat angles P-C4'-P energy: -130.682
tors. eta vs tors. theta energy: -229.928
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: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2578.038979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.038979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.935686 (E_RNA)
where:
Base-Base interactions energy: -1797.938
where: short stacking energy: -732.838
Base-Backbone interact. energy: -1.258
local terms energy: -779.739447
where:
bonds (distance) C4'-P energy: -147.620
bonds (distance) P-C4' energy: -150.032
flat angles C4'-P-C4' energy: -174.171
flat angles P-C4'-P energy: -109.273
tors. eta vs tors. theta energy: -198.644
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2417.264776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.264776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.896450 (E_RNA)
where:
Base-Base interactions energy: -1647.120
where: short stacking energy: -709.284
Base-Backbone interact. energy: 1.233
local terms energy: -774.009555
where:
bonds (distance) C4'-P energy: -148.004
bonds (distance) P-C4' energy: -148.924
flat angles C4'-P-C4' energy: -167.759
flat angles P-C4'-P energy: -110.026
tors. eta vs tors. theta energy: -199.297
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: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2298.397151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.397151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.804770 (E_RNA)
where:
Base-Base interactions energy: -1568.864
where: short stacking energy: -668.303
Base-Backbone interact. energy: -1.157
local terms energy: -730.784029
where:
bonds (distance) C4'-P energy: -139.060
bonds (distance) P-C4' energy: -138.303
flat angles C4'-P-C4' energy: -159.543
flat angles P-C4'-P energy: -122.470
tors. eta vs tors. theta energy: -171.408
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: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2182.307552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.307552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.910324 (E_RNA)
where:
Base-Base interactions energy: -1454.130
where: short stacking energy: -622.949
Base-Backbone interact. energy: 2.343
local terms energy: -733.123391
where:
bonds (distance) C4'-P energy: -124.262
bonds (distance) P-C4' energy: -157.681
flat angles C4'-P-C4' energy: -161.705
flat angles P-C4'-P energy: -121.332
tors. eta vs tors. theta energy: -168.142
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: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2103.540628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.540628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.328284 (E_RNA)
where:
Base-Base interactions energy: -1425.454
where: short stacking energy: -629.283
Base-Backbone interact. energy: -0.407
local terms energy: -681.467281
where:
bonds (distance) C4'-P energy: -121.266
bonds (distance) P-C4' energy: -144.638
flat angles C4'-P-C4' energy: -158.028
flat angles P-C4'-P energy: -84.448
tors. eta vs tors. theta energy: -173.088
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2009.488802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.488802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.678753 (E_RNA)
where:
Base-Base interactions energy: -1349.567
where: short stacking energy: -576.058
Base-Backbone interact. energy: -2.494
local terms energy: -660.617837
where:
bonds (distance) C4'-P energy: -133.983
bonds (distance) P-C4' energy: -148.369
flat angles C4'-P-C4' energy: -133.884
flat angles P-C4'-P energy: -97.746
tors. eta vs tors. theta energy: -146.636
Dist. restrs. and SS energy: 3.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1958.338705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.338705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.635752 (E_RNA)
where:
Base-Base interactions energy: -1299.591
where: short stacking energy: -546.539
Base-Backbone interact. energy: -1.452
local terms energy: -660.592655
where:
bonds (distance) C4'-P energy: -145.716
bonds (distance) P-C4' energy: -128.766
flat angles C4'-P-C4' energy: -144.467
flat angles P-C4'-P energy: -91.855
tors. eta vs tors. theta energy: -149.790
Dist. restrs. and SS energy: 3.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1823.425229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.425229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.891474 (E_RNA)
where:
Base-Base interactions energy: -1217.458
where: short stacking energy: -519.980
Base-Backbone interact. energy: 2.159
local terms energy: -611.592544
where:
bonds (distance) C4'-P energy: -144.817
bonds (distance) P-C4' energy: -132.985
flat angles C4'-P-C4' energy: -133.942
flat angles P-C4'-P energy: -66.062
tors. eta vs tors. theta energy: -133.786
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2773.492350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.492350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.832150 (E_RNA)
where:
Base-Base interactions energy: -1901.644
where: short stacking energy: -822.911
Base-Backbone interact. energy: 1.656
local terms energy: -874.844267
where:
bonds (distance) C4'-P energy: -158.523
bonds (distance) P-C4' energy: -166.944
flat angles C4'-P-C4' energy: -183.054
flat angles P-C4'-P energy: -121.891
tors. eta vs tors. theta energy: -244.431
Dist. restrs. and SS energy: 1.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2736.279260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.279260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.753867 (E_RNA)
where:
Base-Base interactions energy: -1859.878
where: short stacking energy: -799.711
Base-Backbone interact. energy: -0.545
local terms energy: -878.330050
where:
bonds (distance) C4'-P energy: -164.938
bonds (distance) P-C4' energy: -161.088
flat angles C4'-P-C4' energy: -187.950
flat angles P-C4'-P energy: -124.391
tors. eta vs tors. theta energy: -239.962
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2552.342558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.342558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.010134 (E_RNA)
where:
Base-Base interactions energy: -1706.566
where: short stacking energy: -713.787
Base-Backbone interact. energy: -4.572
local terms energy: -843.872566
where:
bonds (distance) C4'-P energy: -156.609
bonds (distance) P-C4' energy: -171.192
flat angles C4'-P-C4' energy: -175.895
flat angles P-C4'-P energy: -138.655
tors. eta vs tors. theta energy: -201.522
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: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2475.725986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.725986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.188676 (E_RNA)
where:
Base-Base interactions energy: -1695.103
where: short stacking energy: -722.707
Base-Backbone interact. energy: -2.028
local terms energy: -780.057264
where:
bonds (distance) C4'-P energy: -147.606
bonds (distance) P-C4' energy: -141.453
flat angles C4'-P-C4' energy: -179.532
flat angles P-C4'-P energy: -103.984
tors. eta vs tors. theta energy: -207.483
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2292.926540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.926540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.165297 (E_RNA)
where:
Base-Base interactions energy: -1544.343
where: short stacking energy: -671.548
Base-Backbone interact. energy: 1.039
local terms energy: -750.860928
where:
bonds (distance) C4'-P energy: -126.286
bonds (distance) P-C4' energy: -148.714
flat angles C4'-P-C4' energy: -176.701
flat angles P-C4'-P energy: -112.137
tors. eta vs tors. theta energy: -187.022
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2194.157084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.157084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.737358 (E_RNA)
where:
Base-Base interactions energy: -1490.128
where: short stacking energy: -646.187
Base-Backbone interact. energy: 0.669
local terms energy: -707.277608
where:
bonds (distance) C4'-P energy: -125.462
bonds (distance) P-C4' energy: -139.721
flat angles C4'-P-C4' energy: -172.921
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -172.550
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2112.465926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.465926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.593890 (E_RNA)
where:
Base-Base interactions energy: -1426.504
where: short stacking energy: -625.762
Base-Backbone interact. energy: 1.654
local terms energy: -690.743784
where:
bonds (distance) C4'-P energy: -139.977
bonds (distance) P-C4' energy: -133.223
flat angles C4'-P-C4' energy: -165.253
flat angles P-C4'-P energy: -92.248
tors. eta vs tors. theta energy: -160.043
Dist. restrs. and SS energy: 3.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1956.012608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.012608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.937014 (E_RNA)
where:
Base-Base interactions energy: -1350.219
where: short stacking energy: -579.481
Base-Backbone interact. energy: 0.025
local terms energy: -607.742816
where:
bonds (distance) C4'-P energy: -135.411
bonds (distance) P-C4' energy: -120.185
flat angles C4'-P-C4' energy: -131.589
flat angles P-C4'-P energy: -68.905
tors. eta vs tors. theta energy: -151.653
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1973.277056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.277056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.381576 (E_RNA)
where:
Base-Base interactions energy: -1357.520
where: short stacking energy: -567.314
Base-Backbone interact. energy: 4.579
local terms energy: -623.440649
where:
bonds (distance) C4'-P energy: -105.874
bonds (distance) P-C4' energy: -131.328
flat angles C4'-P-C4' energy: -169.871
flat angles P-C4'-P energy: -78.744
tors. eta vs tors. theta energy: -137.624
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: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1877.699817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.699817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.172301 (E_RNA)
where:
Base-Base interactions energy: -1275.916
where: short stacking energy: -546.490
Base-Backbone interact. energy: 3.034
local terms energy: -609.290261
where:
bonds (distance) C4'-P energy: -133.007
bonds (distance) P-C4' energy: -129.975
flat angles C4'-P-C4' energy: -126.479
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -140.986
Dist. restrs. and SS energy: 4.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2797.787362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.787362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.322963 (E_RNA)
where:
Base-Base interactions energy: -1901.539
where: short stacking energy: -806.555
Base-Backbone interact. energy: 1.881
local terms energy: -899.665021
where:
bonds (distance) C4'-P energy: -158.766
bonds (distance) P-C4' energy: -170.713
flat angles C4'-P-C4' energy: -198.702
flat angles P-C4'-P energy: -120.650
tors. eta vs tors. theta energy: -250.833
Dist. restrs. and SS energy: 1.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2711.090083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.090083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.028870 (E_RNA)
where:
Base-Base interactions energy: -1851.096
where: short stacking energy: -787.028
Base-Backbone interact. energy: -4.007
local terms energy: -856.925306
where:
bonds (distance) C4'-P energy: -147.872
bonds (distance) P-C4' energy: -167.964
flat angles C4'-P-C4' energy: -188.175
flat angles P-C4'-P energy: -121.473
tors. eta vs tors. theta energy: -231.441
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: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2566.668549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.668549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.766197 (E_RNA)
where:
Base-Base interactions energy: -1771.120
where: short stacking energy: -756.029
Base-Backbone interact. energy: 6.802
local terms energy: -804.448117
where:
bonds (distance) C4'-P energy: -140.432
bonds (distance) P-C4' energy: -157.275
flat angles C4'-P-C4' energy: -186.638
flat angles P-C4'-P energy: -116.601
tors. eta vs tors. theta energy: -203.502
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2433.711852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.046273 (E_RNA)
where:
Base-Base interactions energy: -1673.671
where: short stacking energy: -710.809
Base-Backbone interact. energy: -1.642
local terms energy: -759.733176
where:
bonds (distance) C4'-P energy: -147.433
bonds (distance) P-C4' energy: -130.073
flat angles C4'-P-C4' energy: -160.658
flat angles P-C4'-P energy: -111.583
tors. eta vs tors. theta energy: -209.987
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: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2326.849718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.849718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.832572 (E_RNA)
where:
Base-Base interactions energy: -1565.774
where: short stacking energy: -698.763
Base-Backbone interact. energy: -1.019
local terms energy: -762.039783
where:
bonds (distance) C4'-P energy: -139.625
bonds (distance) P-C4' energy: -149.806
flat angles C4'-P-C4' energy: -159.846
flat angles P-C4'-P energy: -106.180
tors. eta vs tors. theta energy: -206.582
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: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2201.605588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.605588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.986791 (E_RNA)
where:
Base-Base interactions energy: -1459.100
where: short stacking energy: -629.847
Base-Backbone interact. energy: -2.884
local terms energy: -741.003203
where:
bonds (distance) C4'-P energy: -155.500
bonds (distance) P-C4' energy: -131.858
flat angles C4'-P-C4' energy: -164.852
flat angles P-C4'-P energy: -106.299
tors. eta vs tors. theta energy: -182.493
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2133.199461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.199461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.000425 (E_RNA)
where:
Base-Base interactions energy: -1406.075
where: short stacking energy: -601.994
Base-Backbone interact. energy: -1.046
local terms energy: -730.879032
where:
bonds (distance) C4'-P energy: -157.489
bonds (distance) P-C4' energy: -152.469
flat angles C4'-P-C4' energy: -154.897
flat angles P-C4'-P energy: -102.575
tors. eta vs tors. theta energy: -163.449
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: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1954.467732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.467732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.349246 (E_RNA)
where:
Base-Base interactions energy: -1344.406
where: short stacking energy: -556.449
Base-Backbone interact. energy: -4.056
local terms energy: -608.887485
where:
bonds (distance) C4'-P energy: -116.767
bonds (distance) P-C4' energy: -142.991
flat angles C4'-P-C4' energy: -141.307
flat angles P-C4'-P energy: -92.751
tors. eta vs tors. theta energy: -115.072
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1969.993479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.993479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.293353 (E_RNA)
where:
Base-Base interactions energy: -1314.102
where: short stacking energy: -548.350
Base-Backbone interact. energy: -0.610
local terms energy: -658.581595
where:
bonds (distance) C4'-P energy: -137.657
bonds (distance) P-C4' energy: -138.967
flat angles C4'-P-C4' energy: -158.225
flat angles P-C4'-P energy: -81.522
tors. eta vs tors. theta energy: -142.211
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: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1799.771410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.771410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.998145 (E_RNA)
where:
Base-Base interactions energy: -1251.753
where: short stacking energy: -521.276
Base-Backbone interact. energy: 2.547
local terms energy: -559.791798
where:
bonds (distance) C4'-P energy: -119.570
bonds (distance) P-C4' energy: -141.008
flat angles C4'-P-C4' energy: -112.991
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -117.613
Dist. restrs. and SS energy: 9.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2774.728384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.728384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.604342 (E_RNA)
where:
Base-Base interactions energy: -1909.958
where: short stacking energy: -817.423
Base-Backbone interact. energy: -2.880
local terms energy: -862.766626
where:
bonds (distance) C4'-P energy: -162.725
bonds (distance) P-C4' energy: -159.219
flat angles C4'-P-C4' energy: -178.810
flat angles P-C4'-P energy: -123.415
tors. eta vs tors. theta energy: -238.598
Dist. restrs. and SS energy: 0.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2697.587008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.587008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.497742 (E_RNA)
where:
Base-Base interactions energy: -1844.928
where: short stacking energy: -788.357
Base-Backbone interact. energy: -2.309
local terms energy: -852.260405
where:
bonds (distance) C4'-P energy: -148.052
bonds (distance) P-C4' energy: -160.283
flat angles C4'-P-C4' energy: -183.926
flat angles P-C4'-P energy: -128.097
tors. eta vs tors. theta energy: -231.902
Dist. restrs. and SS energy: 1.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2635.279229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.279229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.945826 (E_RNA)
where:
Base-Base interactions energy: -1821.111
where: short stacking energy: -771.598
Base-Backbone interact. energy: -1.818
local terms energy: -814.016296
where:
bonds (distance) C4'-P energy: -146.270
bonds (distance) P-C4' energy: -153.279
flat angles C4'-P-C4' energy: -176.613
flat angles P-C4'-P energy: -119.025
tors. eta vs tors. theta energy: -218.830
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: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2444.496629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.496629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.766344 (E_RNA)
where:
Base-Base interactions energy: -1673.768
where: short stacking energy: -701.640
Base-Backbone interact. energy: -4.742
local terms energy: -767.255890
where:
bonds (distance) C4'-P energy: -137.103
bonds (distance) P-C4' energy: -157.690
flat angles C4'-P-C4' energy: -150.750
flat angles P-C4'-P energy: -114.755
tors. eta vs tors. theta energy: -206.959
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2275.972156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.972156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.111558 (E_RNA)
where:
Base-Base interactions energy: -1523.975
where: short stacking energy: -658.632
Base-Backbone interact. energy: 3.337
local terms energy: -757.473833
where:
bonds (distance) C4'-P energy: -159.930
bonds (distance) P-C4' energy: -147.891
flat angles C4'-P-C4' energy: -168.984
flat angles P-C4'-P energy: -93.189
tors. eta vs tors. theta energy: -187.479
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2173.291124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.291124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.460091 (E_RNA)
where:
Base-Base interactions energy: -1480.685
where: short stacking energy: -644.980
Base-Backbone interact. energy: -1.258
local terms energy: -693.516692
where:
bonds (distance) C4'-P energy: -146.660
bonds (distance) P-C4' energy: -132.399
flat angles C4'-P-C4' energy: -151.225
flat angles P-C4'-P energy: -99.352
tors. eta vs tors. theta energy: -163.881
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: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2081.349419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.349419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.333278 (E_RNA)
where:
Base-Base interactions energy: -1394.574
where: short stacking energy: -610.609
Base-Backbone interact. energy: -0.454
local terms energy: -689.305529
where:
bonds (distance) C4'-P energy: -126.637
bonds (distance) P-C4' energy: -143.556
flat angles C4'-P-C4' energy: -148.804
flat angles P-C4'-P energy: -110.197
tors. eta vs tors. theta energy: -160.111
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1981.265405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.265405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.226154 (E_RNA)
where:
Base-Base interactions energy: -1336.782
where: short stacking energy: -571.632
Base-Backbone interact. energy: -3.511
local terms energy: -642.932897
where:
bonds (distance) C4'-P energy: -126.773
bonds (distance) P-C4' energy: -149.282
flat angles C4'-P-C4' energy: -151.351
flat angles P-C4'-P energy: -76.675
tors. eta vs tors. theta energy: -138.853
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1948.260137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.260137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.206505 (E_RNA)
where:
Base-Base interactions energy: -1314.119
where: short stacking energy: -548.296
Base-Backbone interact. energy: -3.047
local terms energy: -633.039762
where:
bonds (distance) C4'-P energy: -135.464
bonds (distance) P-C4' energy: -137.904
flat angles C4'-P-C4' energy: -134.786
flat angles P-C4'-P energy: -79.000
tors. eta vs tors. theta energy: -145.885
Dist. restrs. and SS energy: 1.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1768.577968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.577968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.484691 (E_RNA)
where:
Base-Base interactions energy: -1214.412
where: short stacking energy: -504.486
Base-Backbone interact. energy: 0.611
local terms energy: -557.683902
where:
bonds (distance) C4'-P energy: -118.826
bonds (distance) P-C4' energy: -136.940
flat angles C4'-P-C4' energy: -137.912
flat angles P-C4'-P energy: -57.367
tors. eta vs tors. theta energy: -106.638
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2812.405612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.405612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.793330 (E_RNA)
where:
Base-Base interactions energy: -1925.865
where: short stacking energy: -827.055
Base-Backbone interact. energy: -0.864
local terms energy: -888.064284
where:
bonds (distance) C4'-P energy: -186.177
bonds (distance) P-C4' energy: -157.475
flat angles C4'-P-C4' energy: -184.674
flat angles P-C4'-P energy: -120.872
tors. eta vs tors. theta energy: -238.867
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: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2716.605063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.605063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.969088 (E_RNA)
where:
Base-Base interactions energy: -1870.033
where: short stacking energy: -818.425
Base-Backbone interact. energy: -0.339
local terms energy: -847.596894
where:
bonds (distance) C4'-P energy: -142.551
bonds (distance) P-C4' energy: -153.960
flat angles C4'-P-C4' energy: -190.688
flat angles P-C4'-P energy: -126.313
tors. eta vs tors. theta energy: -234.083
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2615.278661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.278661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.644503 (E_RNA)
where:
Base-Base interactions energy: -1816.404
where: short stacking energy: -765.020
Base-Backbone interact. energy: 4.328
local terms energy: -805.568776
where:
bonds (distance) C4'-P energy: -153.290
bonds (distance) P-C4' energy: -154.937
flat angles C4'-P-C4' energy: -170.992
flat angles P-C4'-P energy: -108.446
tors. eta vs tors. theta energy: -217.904
Dist. restrs. and SS energy: 2.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2512.758085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.758085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.968685 (E_RNA)
where:
Base-Base interactions energy: -1724.565
where: short stacking energy: -763.724
Base-Backbone interact. energy: 0.667
local terms energy: -791.070657
where:
bonds (distance) C4'-P energy: -142.799
bonds (distance) P-C4' energy: -132.953
flat angles C4'-P-C4' energy: -179.841
flat angles P-C4'-P energy: -121.137
tors. eta vs tors. theta energy: -214.340
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2284.649538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.649538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.310224 (E_RNA)
where:
Base-Base interactions energy: -1531.170
where: short stacking energy: -653.108
Base-Backbone interact. energy: 3.118
local terms energy: -759.258061
where:
bonds (distance) C4'-P energy: -149.996
bonds (distance) P-C4' energy: -159.245
flat angles C4'-P-C4' energy: -147.534
flat angles P-C4'-P energy: -100.556
tors. eta vs tors. theta energy: -201.928
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2192.949550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.949550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.749038 (E_RNA)
where:
Base-Base interactions energy: -1498.395
where: short stacking energy: -642.588
Base-Backbone interact. energy: -2.069
local terms energy: -694.285217
where:
bonds (distance) C4'-P energy: -110.165
bonds (distance) P-C4' energy: -142.404
flat angles C4'-P-C4' energy: -158.802
flat angles P-C4'-P energy: -111.169
tors. eta vs tors. theta energy: -171.745
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: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2050.402767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.402767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.702259 (E_RNA)
where:
Base-Base interactions energy: -1382.802
where: short stacking energy: -609.140
Base-Backbone interact. energy: 1.017
local terms energy: -670.917009
where:
bonds (distance) C4'-P energy: -135.057
bonds (distance) P-C4' energy: -152.394
flat angles C4'-P-C4' energy: -145.316
flat angles P-C4'-P energy: -77.685
tors. eta vs tors. theta energy: -160.465
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2035.341269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.341269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.286816 (E_RNA)
where:
Base-Base interactions energy: -1357.138
where: short stacking energy: -580.484
Base-Backbone interact. energy: -2.464
local terms energy: -677.685136
where:
bonds (distance) C4'-P energy: -145.587
bonds (distance) P-C4' energy: -136.217
flat angles C4'-P-C4' energy: -159.033
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -146.148
Dist. restrs. and SS energy: 1.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1928.844434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.844434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.363389 (E_RNA)
where:
Base-Base interactions energy: -1323.219
where: short stacking energy: -543.139
Base-Backbone interact. energy: -0.109
local terms energy: -608.035454
where:
bonds (distance) C4'-P energy: -122.400
bonds (distance) P-C4' energy: -134.439
flat angles C4'-P-C4' energy: -151.004
flat angles P-C4'-P energy: -77.312
tors. eta vs tors. theta energy: -122.880
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: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1863.938722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.938722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.668647 (E_RNA)
where:
Base-Base interactions energy: -1276.121
where: short stacking energy: -553.407
Base-Backbone interact. energy: -0.266
local terms energy: -591.281497
where:
bonds (distance) C4'-P energy: -128.739
bonds (distance) P-C4' energy: -110.706
flat angles C4'-P-C4' energy: -138.699
flat angles P-C4'-P energy: -79.084
tors. eta vs tors. theta energy: -134.053
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2788.118458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.118458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.611483 (E_RNA)
where:
Base-Base interactions energy: -1918.577
where: short stacking energy: -829.766
Base-Backbone interact. energy: 3.985
local terms energy: -876.019545
where:
bonds (distance) C4'-P energy: -149.195
bonds (distance) P-C4' energy: -162.829
flat angles C4'-P-C4' energy: -185.900
flat angles P-C4'-P energy: -127.578
tors. eta vs tors. theta energy: -250.517
Dist. restrs. and SS energy: 2.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2719.535526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.535526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.849352 (E_RNA)
where:
Base-Base interactions energy: -1876.551
where: short stacking energy: -812.214
Base-Backbone interact. energy: 0.997
local terms energy: -846.296006
where:
bonds (distance) C4'-P energy: -149.026
bonds (distance) P-C4' energy: -160.721
flat angles C4'-P-C4' energy: -176.685
flat angles P-C4'-P energy: -125.585
tors. eta vs tors. theta energy: -234.279
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2624.706310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.706310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.825998 (E_RNA)
where:
Base-Base interactions energy: -1805.626
where: short stacking energy: -762.957
Base-Backbone interact. energy: -0.637
local terms energy: -821.562951
where:
bonds (distance) C4'-P energy: -136.344
bonds (distance) P-C4' energy: -149.626
flat angles C4'-P-C4' energy: -189.304
flat angles P-C4'-P energy: -127.981
tors. eta vs tors. theta energy: -218.308
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2461.089191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.089191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.493181 (E_RNA)
where:
Base-Base interactions energy: -1698.987
where: short stacking energy: -728.440
Base-Backbone interact. energy: -1.379
local terms energy: -762.128036
where:
bonds (distance) C4'-P energy: -138.994
bonds (distance) P-C4' energy: -134.532
flat angles C4'-P-C4' energy: -167.715
flat angles P-C4'-P energy: -117.056
tors. eta vs tors. theta energy: -203.831
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2249.456490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.456490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.436025 (E_RNA)
where:
Base-Base interactions energy: -1525.890
where: short stacking energy: -693.505
Base-Backbone interact. energy: -3.807
local terms energy: -721.738181
where:
bonds (distance) C4'-P energy: -134.974
bonds (distance) P-C4' energy: -140.832
flat angles C4'-P-C4' energy: -155.757
flat angles P-C4'-P energy: -98.294
tors. eta vs tors. theta energy: -191.881
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: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2203.828266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.828266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.319448 (E_RNA)
where:
Base-Base interactions energy: -1468.538
where: short stacking energy: -651.084
Base-Backbone interact. energy: -3.100
local terms energy: -734.681270
where:
bonds (distance) C4'-P energy: -149.457
bonds (distance) P-C4' energy: -138.873
flat angles C4'-P-C4' energy: -153.189
flat angles P-C4'-P energy: -103.099
tors. eta vs tors. theta energy: -190.063
Dist. restrs. and SS energy: 2.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2113.745653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.745653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.226269 (E_RNA)
where:
Base-Base interactions energy: -1419.095
where: short stacking energy: -626.332
Base-Backbone interact. energy: -2.409
local terms energy: -694.722240
where:
bonds (distance) C4'-P energy: -147.168
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -169.836
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -161.580
Dist. restrs. and SS energy: 2.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2048.650727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.650727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.756501 (E_RNA)
where:
Base-Base interactions energy: -1376.782
where: short stacking energy: -574.975
Base-Backbone interact. energy: 9.668
local terms energy: -684.642177
where:
bonds (distance) C4'-P energy: -146.420
bonds (distance) P-C4' energy: -143.264
flat angles C4'-P-C4' energy: -147.456
flat angles P-C4'-P energy: -93.888
tors. eta vs tors. theta energy: -153.613
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1949.502041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.502041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.135836 (E_RNA)
where:
Base-Base interactions energy: -1345.009
where: short stacking energy: -570.535
Base-Backbone interact. energy: 0.827
local terms energy: -608.953546
where:
bonds (distance) C4'-P energy: -114.501
bonds (distance) P-C4' energy: -122.805
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -102.827
tors. eta vs tors. theta energy: -144.875
Dist. restrs. and SS energy: 3.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1865.966422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.966422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.501332 (E_RNA)
where:
Base-Base interactions energy: -1242.358
where: short stacking energy: -516.546
Base-Backbone interact. energy: -0.859
local terms energy: -625.285013
where:
bonds (distance) C4'-P energy: -130.480
bonds (distance) P-C4' energy: -118.527
flat angles C4'-P-C4' energy: -151.631
flat angles P-C4'-P energy: -87.230
tors. eta vs tors. theta energy: -137.419
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: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2781.247827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.247827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.240883 (E_RNA)
where:
Base-Base interactions energy: -1916.740
where: short stacking energy: -803.061
Base-Backbone interact. energy: -0.458
local terms energy: -867.042178
where:
bonds (distance) C4'-P energy: -171.755
bonds (distance) P-C4' energy: -163.483
flat angles C4'-P-C4' energy: -191.002
flat angles P-C4'-P energy: -101.870
tors. eta vs tors. theta energy: -238.932
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: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2710.609212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.609212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.174031 (E_RNA)
where:
Base-Base interactions energy: -1894.520
where: short stacking energy: -777.278
Base-Backbone interact. energy: -0.986
local terms energy: -817.668091
where:
bonds (distance) C4'-P energy: -151.736
bonds (distance) P-C4' energy: -167.093
flat angles C4'-P-C4' energy: -164.337
flat angles P-C4'-P energy: -120.424
tors. eta vs tors. theta energy: -214.078
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: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2656.489568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.489568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.325183 (E_RNA)
where:
Base-Base interactions energy: -1831.638
where: short stacking energy: -806.835
Base-Backbone interact. energy: -1.010
local terms energy: -825.676977
where:
bonds (distance) C4'-P energy: -153.850
bonds (distance) P-C4' energy: -157.908
flat angles C4'-P-C4' energy: -187.816
flat angles P-C4'-P energy: -96.939
tors. eta vs tors. theta energy: -229.163
Dist. restrs. and SS energy: 1.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2453.041606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.041606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.310778 (E_RNA)
where:
Base-Base interactions energy: -1680.312
where: short stacking energy: -733.146
Base-Backbone interact. energy: -3.225
local terms energy: -770.773307
where:
bonds (distance) C4'-P energy: -144.422
bonds (distance) P-C4' energy: -151.798
flat angles C4'-P-C4' energy: -160.352
flat angles P-C4'-P energy: -114.398
tors. eta vs tors. theta energy: -199.803
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: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2250.566120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.566120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.557265 (E_RNA)
where:
Base-Base interactions energy: -1517.230
where: short stacking energy: -641.434
Base-Backbone interact. energy: -2.622
local terms energy: -731.705934
where:
bonds (distance) C4'-P energy: -135.098
bonds (distance) P-C4' energy: -146.006
flat angles C4'-P-C4' energy: -160.582
flat angles P-C4'-P energy: -110.875
tors. eta vs tors. theta energy: -179.145
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2207.383149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.383149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.206022 (E_RNA)
where:
Base-Base interactions energy: -1500.132
where: short stacking energy: -676.001
Base-Backbone interact. energy: 5.453
local terms energy: -715.526406
where:
bonds (distance) C4'-P energy: -136.055
bonds (distance) P-C4' energy: -143.284
flat angles C4'-P-C4' energy: -158.949
flat angles P-C4'-P energy: -93.714
tors. eta vs tors. theta energy: -183.526
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2075.338068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.338068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.157817 (E_RNA)
where:
Base-Base interactions energy: -1389.747
where: short stacking energy: -584.751
Base-Backbone interact. energy: -3.117
local terms energy: -684.294029
where:
bonds (distance) C4'-P energy: -145.325
bonds (distance) P-C4' energy: -140.209
flat angles C4'-P-C4' energy: -138.816
flat angles P-C4'-P energy: -91.415
tors. eta vs tors. theta energy: -168.529
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1994.073049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.073049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.084379 (E_RNA)
where:
Base-Base interactions energy: -1338.026
where: short stacking energy: -575.261
Base-Backbone interact. energy: -0.796
local terms energy: -659.262049
where:
bonds (distance) C4'-P energy: -148.269
bonds (distance) P-C4' energy: -119.507
flat angles C4'-P-C4' energy: -155.003
flat angles P-C4'-P energy: -93.340
tors. eta vs tors. theta energy: -143.143
Dist. restrs. and SS energy: 4.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1963.285364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.285364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.360738 (E_RNA)
where:
Base-Base interactions energy: -1314.262
where: short stacking energy: -575.893
Base-Backbone interact. energy: -1.138
local terms energy: -651.961279
where:
bonds (distance) C4'-P energy: -136.879
bonds (distance) P-C4' energy: -139.767
flat angles C4'-P-C4' energy: -133.842
flat angles P-C4'-P energy: -85.933
tors. eta vs tors. theta energy: -155.541
Dist. restrs. and SS energy: 4.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1820.795649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.795649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.327499 (E_RNA)
where:
Base-Base interactions energy: -1243.864
where: short stacking energy: -523.762
Base-Backbone interact. energy: -1.822
local terms energy: -579.641511
where:
bonds (distance) C4'-P energy: -146.513
bonds (distance) P-C4' energy: -123.257
flat angles C4'-P-C4' energy: -115.982
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: -127.259
Dist. restrs. and SS energy: 4.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2780.929427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.929427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.703432 (E_RNA)
where:
Base-Base interactions energy: -1916.836
where: short stacking energy: -812.608
Base-Backbone interact. energy: -1.990
local terms energy: -863.877193
where:
bonds (distance) C4'-P energy: -151.077
bonds (distance) P-C4' energy: -161.567
flat angles C4'-P-C4' energy: -188.796
flat angles P-C4'-P energy: -123.333
tors. eta vs tors. theta energy: -239.104
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2754.488079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.488079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.139890 (E_RNA)
where:
Base-Base interactions energy: -1918.843
where: short stacking energy: -802.961
Base-Backbone interact. energy: -3.447
local terms energy: -834.850048
where:
bonds (distance) C4'-P energy: -156.919
bonds (distance) P-C4' energy: -154.118
flat angles C4'-P-C4' energy: -176.404
flat angles P-C4'-P energy: -112.416
tors. eta vs tors. theta energy: -234.993
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: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2612.650819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.650819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.127608 (E_RNA)
where:
Base-Base interactions energy: -1792.429
where: short stacking energy: -761.250
Base-Backbone interact. energy: -3.208
local terms energy: -818.491337
where:
bonds (distance) C4'-P energy: -146.608
bonds (distance) P-C4' energy: -160.061
flat angles C4'-P-C4' energy: -174.766
flat angles P-C4'-P energy: -128.865
tors. eta vs tors. theta energy: -208.192
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2428.754540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.754540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.755074 (E_RNA)
where:
Base-Base interactions energy: -1677.684
where: short stacking energy: -735.774
Base-Backbone interact. energy: -2.700
local terms energy: -750.370876
where:
bonds (distance) C4'-P energy: -132.637
bonds (distance) P-C4' energy: -156.307
flat angles C4'-P-C4' energy: -146.829
flat angles P-C4'-P energy: -103.660
tors. eta vs tors. theta energy: -210.939
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2264.098404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.098404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.372501 (E_RNA)
where:
Base-Base interactions energy: -1507.225
where: short stacking energy: -635.369
Base-Backbone interact. energy: -1.696
local terms energy: -757.451341
where:
bonds (distance) C4'-P energy: -123.890
bonds (distance) P-C4' energy: -167.873
flat angles C4'-P-C4' energy: -172.369
flat angles P-C4'-P energy: -122.262
tors. eta vs tors. theta energy: -171.058
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: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2152.171586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.171586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.429918 (E_RNA)
where:
Base-Base interactions energy: -1437.612
where: short stacking energy: -626.956
Base-Backbone interact. energy: 3.814
local terms energy: -721.631618
where:
bonds (distance) C4'-P energy: -128.926
bonds (distance) P-C4' energy: -151.167
flat angles C4'-P-C4' energy: -158.915
flat angles P-C4'-P energy: -105.096
tors. eta vs tors. theta energy: -177.527
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: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2137.874098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.874098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.313328 (E_RNA)
where:
Base-Base interactions energy: -1457.751
where: short stacking energy: -631.942
Base-Backbone interact. energy: -1.027
local terms energy: -681.535733
where:
bonds (distance) C4'-P energy: -131.066
bonds (distance) P-C4' energy: -142.387
flat angles C4'-P-C4' energy: -153.941
flat angles P-C4'-P energy: -77.091
tors. eta vs tors. theta energy: -177.051
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: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1983.654956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.654956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.253527 (E_RNA)
where:
Base-Base interactions energy: -1318.569
where: short stacking energy: -555.505
Base-Backbone interact. energy: -0.369
local terms energy: -668.315248
where:
bonds (distance) C4'-P energy: -140.688
bonds (distance) P-C4' energy: -141.970
flat angles C4'-P-C4' energy: -151.133
flat angles P-C4'-P energy: -83.778
tors. eta vs tors. theta energy: -150.746
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: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1981.039689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.039689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.036968 (E_RNA)
where:
Base-Base interactions energy: -1360.060
where: short stacking energy: -583.180
Base-Backbone interact. energy: 5.937
local terms energy: -629.913563
where:
bonds (distance) C4'-P energy: -105.325
bonds (distance) P-C4' energy: -136.787
flat angles C4'-P-C4' energy: -153.592
flat angles P-C4'-P energy: -84.119
tors. eta vs tors. theta energy: -150.091
Dist. restrs. and SS energy: 2.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1825.562596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.562596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.058543 (E_RNA)
where:
Base-Base interactions energy: -1269.043
where: short stacking energy: -510.676
Base-Backbone interact. energy: 16.281
local terms energy: -575.296131
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -137.672
flat angles C4'-P-C4' energy: -151.000
flat angles P-C4'-P energy: -77.937
tors. eta vs tors. theta energy: -114.944
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: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2773.878822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.878822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.262834 (E_RNA)
where:
Base-Base interactions energy: -1884.875
where: short stacking energy: -826.955
Base-Backbone interact. energy: -5.354
local terms energy: -885.033699
where:
bonds (distance) C4'-P energy: -176.250
bonds (distance) P-C4' energy: -162.316
flat angles C4'-P-C4' energy: -186.368
flat angles P-C4'-P energy: -122.672
tors. eta vs tors. theta energy: -237.428
Dist. restrs. and SS energy: 1.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2684.647129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.647129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.207802 (E_RNA)
where:
Base-Base interactions energy: -1862.588
where: short stacking energy: -760.988
Base-Backbone interact. energy: -1.738
local terms energy: -822.881707
where:
bonds (distance) C4'-P energy: -152.480
bonds (distance) P-C4' energy: -163.298
flat angles C4'-P-C4' energy: -173.689
flat angles P-C4'-P energy: -109.641
tors. eta vs tors. theta energy: -223.773
Dist. restrs. and SS energy: 2.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2616.742066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.742066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.229369 (E_RNA)
where:
Base-Base interactions energy: -1789.314
where: short stacking energy: -787.190
Base-Backbone interact. energy: -2.914
local terms energy: -826.001049
where:
bonds (distance) C4'-P energy: -158.581
bonds (distance) P-C4' energy: -173.870
flat angles C4'-P-C4' energy: -170.390
flat angles P-C4'-P energy: -99.597
tors. eta vs tors. theta energy: -223.563
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2472.654422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.654422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.168255 (E_RNA)
where:
Base-Base interactions energy: -1679.208
where: short stacking energy: -704.064
Base-Backbone interact. energy: -0.875
local terms energy: -794.085043
where:
bonds (distance) C4'-P energy: -164.248
bonds (distance) P-C4' energy: -149.415
flat angles C4'-P-C4' energy: -155.074
flat angles P-C4'-P energy: -116.696
tors. eta vs tors. theta energy: -208.652
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2251.005561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.005561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.158797 (E_RNA)
where:
Base-Base interactions energy: -1535.286
where: short stacking energy: -667.187
Base-Backbone interact. energy: -2.089
local terms energy: -715.784220
where:
bonds (distance) C4'-P energy: -130.300
bonds (distance) P-C4' energy: -143.897
flat angles C4'-P-C4' energy: -149.608
flat angles P-C4'-P energy: -108.040
tors. eta vs tors. theta energy: -183.939
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2208.642692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.642692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.787908 (E_RNA)
where:
Base-Base interactions energy: -1521.584
where: short stacking energy: -641.698
Base-Backbone interact. energy: -3.654
local terms energy: -686.550174
where:
bonds (distance) C4'-P energy: -122.142
bonds (distance) P-C4' energy: -142.685
flat angles C4'-P-C4' energy: -161.095
flat angles P-C4'-P energy: -89.449
tors. eta vs tors. theta energy: -171.180
Dist. restrs. and SS energy: 3.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2140.785557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.785557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.988540 (E_RNA)
where:
Base-Base interactions energy: -1451.939
where: short stacking energy: -644.346
Base-Backbone interact. energy: 2.467
local terms energy: -693.517103
where:
bonds (distance) C4'-P energy: -134.125
bonds (distance) P-C4' energy: -143.643
flat angles C4'-P-C4' energy: -151.226
flat angles P-C4'-P energy: -101.750
tors. eta vs tors. theta energy: -162.774
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: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1978.530783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.530783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.967153 (E_RNA)
where:
Base-Base interactions energy: -1323.578
where: short stacking energy: -571.012
Base-Backbone interact. energy: -2.099
local terms energy: -655.290457
where:
bonds (distance) C4'-P energy: -127.097
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -165.138
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -153.013
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: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1949.022793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.022793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.723653 (E_RNA)
where:
Base-Base interactions energy: -1338.921
where: short stacking energy: -582.196
Base-Backbone interact. energy: 0.031
local terms energy: -612.833614
where:
bonds (distance) C4'-P energy: -118.589
bonds (distance) P-C4' energy: -126.281
flat angles C4'-P-C4' energy: -134.166
flat angles P-C4'-P energy: -86.259
tors. eta vs tors. theta energy: -147.540
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1816.754910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.754910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.409309 (E_RNA)
where:
Base-Base interactions energy: -1233.338
where: short stacking energy: -524.575
Base-Backbone interact. energy: -0.487
local terms energy: -587.584542
where:
bonds (distance) C4'-P energy: -123.872
bonds (distance) P-C4' energy: -137.403
flat angles C4'-P-C4' energy: -142.063
flat angles P-C4'-P energy: -69.051
tors. eta vs tors. theta energy: -115.196
Dist. restrs. and SS energy: 4.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2789.578377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.578377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.913644 (E_RNA)
where:
Base-Base interactions energy: -1939.618
where: short stacking energy: -845.436
Base-Backbone interact. energy: -0.193
local terms energy: -851.102537
where:
bonds (distance) C4'-P energy: -158.299
bonds (distance) P-C4' energy: -140.756
flat angles C4'-P-C4' energy: -194.657
flat angles P-C4'-P energy: -121.266
tors. eta vs tors. theta energy: -236.124
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2685.060763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.060763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.378447 (E_RNA)
where:
Base-Base interactions energy: -1854.935
where: short stacking energy: -775.426
Base-Backbone interact. energy: -0.169
local terms energy: -832.274867
where:
bonds (distance) C4'-P energy: -148.895
bonds (distance) P-C4' energy: -149.975
flat angles C4'-P-C4' energy: -187.992
flat angles P-C4'-P energy: -118.124
tors. eta vs tors. theta energy: -227.290
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: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2566.631109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.631109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.053487 (E_RNA)
where:
Base-Base interactions energy: -1757.097
where: short stacking energy: -757.625
Base-Backbone interact. energy: 0.335
local terms energy: -811.292029
where:
bonds (distance) C4'-P energy: -150.387
bonds (distance) P-C4' energy: -164.403
flat angles C4'-P-C4' energy: -168.960
flat angles P-C4'-P energy: -104.351
tors. eta vs tors. theta energy: -223.191
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: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2431.874032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.874032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.472794 (E_RNA)
where:
Base-Base interactions energy: -1646.979
where: short stacking energy: -712.695
Base-Backbone interact. energy: 2.657
local terms energy: -789.150254
where:
bonds (distance) C4'-P energy: -141.187
bonds (distance) P-C4' energy: -162.037
flat angles C4'-P-C4' energy: -165.886
flat angles P-C4'-P energy: -117.710
tors. eta vs tors. theta energy: -202.330
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2225.216545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.216545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.280640 (E_RNA)
where:
Base-Base interactions energy: -1495.464
where: short stacking energy: -641.594
Base-Backbone interact. energy: -0.530
local terms energy: -732.287090
where:
bonds (distance) C4'-P energy: -150.593
bonds (distance) P-C4' energy: -140.013
flat angles C4'-P-C4' energy: -173.203
flat angles P-C4'-P energy: -101.467
tors. eta vs tors. theta energy: -167.011
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2190.948994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.948994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.356970 (E_RNA)
where:
Base-Base interactions energy: -1498.478
where: short stacking energy: -671.709
Base-Backbone interact. energy: -2.379
local terms energy: -691.499882
where:
bonds (distance) C4'-P energy: -130.892
bonds (distance) P-C4' energy: -137.855
flat angles C4'-P-C4' energy: -167.137
flat angles P-C4'-P energy: -79.816
tors. eta vs tors. theta energy: -175.801
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2108.819911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.819911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.757113 (E_RNA)
where:
Base-Base interactions energy: -1414.452
where: short stacking energy: -619.811
Base-Backbone interact. energy: -2.115
local terms energy: -695.190049
where:
bonds (distance) C4'-P energy: -131.211
bonds (distance) P-C4' energy: -152.703
flat angles C4'-P-C4' energy: -143.019
flat angles P-C4'-P energy: -103.281
tors. eta vs tors. theta energy: -164.977
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: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2035.698685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.698685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.710347 (E_RNA)
where:
Base-Base interactions energy: -1338.948
where: short stacking energy: -591.767
Base-Backbone interact. energy: -2.427
local terms energy: -696.334949
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -137.321
flat angles C4'-P-C4' energy: -157.008
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -168.172
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: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1944.985599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.985599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.580583 (E_RNA)
where:
Base-Base interactions energy: -1350.897
where: short stacking energy: -578.517
Base-Backbone interact. energy: -5.178
local terms energy: -591.505560
where:
bonds (distance) C4'-P energy: -111.916
bonds (distance) P-C4' energy: -115.797
flat angles C4'-P-C4' energy: -144.062
flat angles P-C4'-P energy: -78.418
tors. eta vs tors. theta energy: -141.313
Dist. restrs. and SS energy: 2.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1818.256053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.256053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.892184 (E_RNA)
where:
Base-Base interactions energy: -1237.639
where: short stacking energy: -510.466
Base-Backbone interact. energy: 2.023
local terms energy: -587.276901
where:
bonds (distance) C4'-P energy: -104.308
bonds (distance) P-C4' energy: -146.217
flat angles C4'-P-C4' energy: -146.682
flat angles P-C4'-P energy: -76.922
tors. eta vs tors. theta energy: -113.149
Dist. restrs. and SS energy: 4.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2781.747733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.747733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.899775 (E_RNA)
where:
Base-Base interactions energy: -1899.381
where: short stacking energy: -821.035
Base-Backbone interact. energy: -3.700
local terms energy: -879.818373
where:
bonds (distance) C4'-P energy: -161.620
bonds (distance) P-C4' energy: -173.902
flat angles C4'-P-C4' energy: -177.834
flat angles P-C4'-P energy: -128.183
tors. eta vs tors. theta energy: -238.280
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: 117
Temperature: 0.950000
Total energy: -2717.177832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.177832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.533655 (E_RNA)
where:
Base-Base interactions energy: -1862.121
where: short stacking energy: -801.643
Base-Backbone interact. energy: -4.493
local terms energy: -852.919021
where:
bonds (distance) C4'-P energy: -156.940
bonds (distance) P-C4' energy: -157.024
flat angles C4'-P-C4' energy: -190.623
flat angles P-C4'-P energy: -117.391
tors. eta vs tors. theta energy: -230.941
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: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2554.750730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.750730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.022067 (E_RNA)
where:
Base-Base interactions energy: -1770.258
where: short stacking energy: -743.163
Base-Backbone interact. energy: 1.536
local terms energy: -787.299674
where:
bonds (distance) C4'-P energy: -144.127
bonds (distance) P-C4' energy: -142.770
flat angles C4'-P-C4' energy: -168.695
flat angles P-C4'-P energy: -118.996
tors. eta vs tors. theta energy: -212.712
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2401.365027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.365027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.409138 (E_RNA)
where:
Base-Base interactions energy: -1605.924
where: short stacking energy: -710.806
Base-Backbone interact. energy: -3.714
local terms energy: -793.770980
where:
bonds (distance) C4'-P energy: -157.161
bonds (distance) P-C4' energy: -151.447
flat angles C4'-P-C4' energy: -177.511
flat angles P-C4'-P energy: -104.087
tors. eta vs tors. theta energy: -203.565
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2233.650624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.650624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.193221 (E_RNA)
where:
Base-Base interactions energy: -1508.117
where: short stacking energy: -643.549
Base-Backbone interact. energy: -3.840
local terms energy: -723.236003
where:
bonds (distance) C4'-P energy: -136.035
bonds (distance) P-C4' energy: -136.388
flat angles C4'-P-C4' energy: -177.318
flat angles P-C4'-P energy: -95.181
tors. eta vs tors. theta energy: -178.314
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2208.748058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.748058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.585547 (E_RNA)
where:
Base-Base interactions energy: -1511.091
where: short stacking energy: -651.636
Base-Backbone interact. energy: 2.028
local terms energy: -702.522674
where:
bonds (distance) C4'-P energy: -140.908
bonds (distance) P-C4' energy: -139.061
flat angles C4'-P-C4' energy: -143.999
flat angles P-C4'-P energy: -103.147
tors. eta vs tors. theta energy: -175.407
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: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2101.475242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.475242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.439866 (E_RNA)
where:
Base-Base interactions energy: -1411.788
where: short stacking energy: -618.113
Base-Backbone interact. energy: -0.066
local terms energy: -692.585708
where:
bonds (distance) C4'-P energy: -131.390
bonds (distance) P-C4' energy: -154.771
flat angles C4'-P-C4' energy: -148.840
flat angles P-C4'-P energy: -81.738
tors. eta vs tors. theta energy: -175.847
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: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2042.636849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.636849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.462394 (E_RNA)
where:
Base-Base interactions energy: -1338.974
where: short stacking energy: -599.790
Base-Backbone interact. energy: 4.106
local terms energy: -711.594127
where:
bonds (distance) C4'-P energy: -141.301
bonds (distance) P-C4' energy: -148.774
flat angles C4'-P-C4' energy: -149.724
flat angles P-C4'-P energy: -107.473
tors. eta vs tors. theta energy: -164.322
Dist. restrs. and SS energy: 3.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1971.358458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.358458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.619457 (E_RNA)
where:
Base-Base interactions energy: -1324.384
where: short stacking energy: -569.681
Base-Backbone interact. energy: -3.428
local terms energy: -647.806779
where:
bonds (distance) C4'-P energy: -136.005
bonds (distance) P-C4' energy: -128.811
flat angles C4'-P-C4' energy: -146.297
flat angles P-C4'-P energy: -95.602
tors. eta vs tors. theta energy: -141.091
Dist. restrs. and SS energy: 4.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1826.121161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.121161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.416703 (E_RNA)
where:
Base-Base interactions energy: -1220.003
where: short stacking energy: -506.055
Base-Backbone interact. energy: 4.724
local terms energy: -615.137184
where:
bonds (distance) C4'-P energy: -144.504
bonds (distance) P-C4' energy: -116.136
flat angles C4'-P-C4' energy: -142.488
flat angles P-C4'-P energy: -88.374
tors. eta vs tors. theta energy: -123.634
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: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2769.746575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.582892 (E_RNA)
where:
Base-Base interactions energy: -1903.510
where: short stacking energy: -799.419
Base-Backbone interact. energy: 3.381
local terms energy: -870.453922
where:
bonds (distance) C4'-P energy: -173.133
bonds (distance) P-C4' energy: -147.518
flat angles C4'-P-C4' energy: -182.489
flat angles P-C4'-P energy: -137.649
tors. eta vs tors. theta energy: -229.665
Dist. restrs. and SS energy: 0.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2700.657978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.657978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.383916 (E_RNA)
where:
Base-Base interactions energy: -1849.126
where: short stacking energy: -775.481
Base-Backbone interact. energy: -3.311
local terms energy: -850.946929
where:
bonds (distance) C4'-P energy: -164.559
bonds (distance) P-C4' energy: -157.325
flat angles C4'-P-C4' energy: -184.756
flat angles P-C4'-P energy: -116.621
tors. eta vs tors. theta energy: -227.686
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: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2612.839110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.839110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.243816 (E_RNA)
where:
Base-Base interactions energy: -1791.442
where: short stacking energy: -765.132
Base-Backbone interact. energy: -4.581
local terms energy: -819.220276
where:
bonds (distance) C4'-P energy: -155.073
bonds (distance) P-C4' energy: -165.474
flat angles C4'-P-C4' energy: -177.524
flat angles P-C4'-P energy: -100.061
tors. eta vs tors. theta energy: -221.088
Dist. restrs. and SS energy: 2.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2436.529274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.529274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.620707 (E_RNA)
where:
Base-Base interactions energy: -1656.408
where: short stacking energy: -699.890
Base-Backbone interact. energy: -3.044
local terms energy: -779.168942
where:
bonds (distance) C4'-P energy: -137.676
bonds (distance) P-C4' energy: -159.015
flat angles C4'-P-C4' energy: -154.760
flat angles P-C4'-P energy: -116.803
tors. eta vs tors. theta energy: -210.914
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2309.619483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.619483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.940447 (E_RNA)
where:
Base-Base interactions energy: -1557.228
where: short stacking energy: -704.374
Base-Backbone interact. energy: -2.906
local terms energy: -751.806314
where:
bonds (distance) C4'-P energy: -132.321
bonds (distance) P-C4' energy: -146.816
flat angles C4'-P-C4' energy: -157.325
flat angles P-C4'-P energy: -113.989
tors. eta vs tors. theta energy: -201.355
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2131.117673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.117673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.072230 (E_RNA)
where:
Base-Base interactions energy: -1456.884
where: short stacking energy: -637.595
Base-Backbone interact. energy: 1.254
local terms energy: -677.441784
where:
bonds (distance) C4'-P energy: -120.811
bonds (distance) P-C4' energy: -126.688
flat angles C4'-P-C4' energy: -166.974
flat angles P-C4'-P energy: -102.288
tors. eta vs tors. theta energy: -160.681
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: 118
Temperature: 1.200000
Total energy: -2061.856734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.856734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.182481 (E_RNA)
where:
Base-Base interactions energy: -1404.014
where: short stacking energy: -593.976
Base-Backbone interact. energy: -1.884
local terms energy: -658.284130
where:
bonds (distance) C4'-P energy: -128.551
bonds (distance) P-C4' energy: -131.255
flat angles C4'-P-C4' energy: -164.586
flat angles P-C4'-P energy: -82.569
tors. eta vs tors. theta energy: -151.324
Dist. restrs. and SS energy: 2.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1989.217487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.217487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.503063 (E_RNA)
where:
Base-Base interactions energy: -1351.900
where: short stacking energy: -573.412
Base-Backbone interact. energy: 3.673
local terms energy: -643.276027
where:
bonds (distance) C4'-P energy: -119.270
bonds (distance) P-C4' energy: -145.125
flat angles C4'-P-C4' energy: -127.456
flat angles P-C4'-P energy: -100.521
tors. eta vs tors. theta energy: -150.905
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: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1937.441098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.441098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.400953 (E_RNA)
where:
Base-Base interactions energy: -1310.491
where: short stacking energy: -533.918
Base-Backbone interact. energy: -1.396
local terms energy: -627.514300
where:
bonds (distance) C4'-P energy: -107.599
bonds (distance) P-C4' energy: -130.501
flat angles C4'-P-C4' energy: -157.887
flat angles P-C4'-P energy: -85.721
tors. eta vs tors. theta energy: -145.807
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: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1838.982630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.982630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.773325 (E_RNA)
where:
Base-Base interactions energy: -1216.117
where: short stacking energy: -494.687
Base-Backbone interact. energy: 3.416
local terms energy: -630.072481
where:
bonds (distance) C4'-P energy: -133.747
bonds (distance) P-C4' energy: -129.801
flat angles C4'-P-C4' energy: -140.200
flat angles P-C4'-P energy: -101.567
tors. eta vs tors. theta energy: -124.757
Dist. restrs. and SS energy: 3.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2811.935077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.935077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.991732 (E_RNA)
where:
Base-Base interactions energy: -1946.309
where: short stacking energy: -828.888
Base-Backbone interact. energy: -0.864
local terms energy: -865.818771
where:
bonds (distance) C4'-P energy: -159.435
bonds (distance) P-C4' energy: -168.535
flat angles C4'-P-C4' energy: -184.630
flat angles P-C4'-P energy: -114.804
tors. eta vs tors. theta energy: -238.415
Dist. restrs. and SS energy: 1.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2707.065403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.065403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.617935 (E_RNA)
where:
Base-Base interactions energy: -1872.649
where: short stacking energy: -831.285
Base-Backbone interact. energy: 2.130
local terms energy: -839.098384
where:
bonds (distance) C4'-P energy: -162.817
bonds (distance) P-C4' energy: -153.804
flat angles C4'-P-C4' energy: -183.190
flat angles P-C4'-P energy: -119.928
tors. eta vs tors. theta energy: -219.359
Dist. restrs. and SS energy: 2.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2597.141074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.141074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.375314 (E_RNA)
where:
Base-Base interactions energy: -1787.924
where: short stacking energy: -770.137
Base-Backbone interact. energy: 0.766
local terms energy: -812.216843
where:
bonds (distance) C4'-P energy: -160.068
bonds (distance) P-C4' energy: -155.515
flat angles C4'-P-C4' energy: -163.904
flat angles P-C4'-P energy: -124.691
tors. eta vs tors. theta energy: -208.039
Dist. restrs. and SS energy: 2.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2414.797315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.797315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.443004 (E_RNA)
where:
Base-Base interactions energy: -1655.306
where: short stacking energy: -701.269
Base-Backbone interact. energy: -3.708
local terms energy: -757.429175
where:
bonds (distance) C4'-P energy: -147.836
bonds (distance) P-C4' energy: -130.907
flat angles C4'-P-C4' energy: -177.298
flat angles P-C4'-P energy: -106.598
tors. eta vs tors. theta energy: -194.789
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: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2263.496284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.496284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.791489 (E_RNA)
where:
Base-Base interactions energy: -1528.310
where: short stacking energy: -655.747
Base-Backbone interact. energy: 3.153
local terms energy: -739.634951
where:
bonds (distance) C4'-P energy: -137.421
bonds (distance) P-C4' energy: -135.258
flat angles C4'-P-C4' energy: -166.888
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -193.726
Dist. restrs. and SS energy: 1.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2213.642471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.642471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.861515 (E_RNA)
where:
Base-Base interactions energy: -1511.840
where: short stacking energy: -671.264
Base-Backbone interact. energy: 2.020
local terms energy: -706.041376
where:
bonds (distance) C4'-P energy: -147.789
bonds (distance) P-C4' energy: -137.885
flat angles C4'-P-C4' energy: -156.057
flat angles P-C4'-P energy: -87.946
tors. eta vs tors. theta energy: -176.364
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: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2111.485167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.485167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.395040 (E_RNA)
where:
Base-Base interactions energy: -1410.073
where: short stacking energy: -612.497
Base-Backbone interact. energy: 1.705
local terms energy: -707.027138
where:
bonds (distance) C4'-P energy: -142.854
bonds (distance) P-C4' energy: -143.459
flat angles C4'-P-C4' energy: -157.195
flat angles P-C4'-P energy: -83.109
tors. eta vs tors. theta energy: -180.411
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: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1997.920044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.920044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.135930 (E_RNA)
where:
Base-Base interactions energy: -1333.727
where: short stacking energy: -576.722
Base-Backbone interact. energy: 1.872
local terms energy: -668.281314
where:
bonds (distance) C4'-P energy: -152.944
bonds (distance) P-C4' energy: -135.943
flat angles C4'-P-C4' energy: -145.860
flat angles P-C4'-P energy: -85.045
tors. eta vs tors. theta energy: -148.490
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: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1974.937165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.937165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.809827 (E_RNA)
where:
Base-Base interactions energy: -1325.929
where: short stacking energy: -564.373
Base-Backbone interact. energy: -0.682
local terms energy: -650.198947
where:
bonds (distance) C4'-P energy: -120.017
bonds (distance) P-C4' energy: -143.653
flat angles C4'-P-C4' energy: -134.751
flat angles P-C4'-P energy: -97.771
tors. eta vs tors. theta energy: -154.007
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: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1814.238133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.238133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.378285 (E_RNA)
where:
Base-Base interactions energy: -1212.258
where: short stacking energy: -509.180
Base-Backbone interact. energy: -1.867
local terms energy: -607.253593
where:
bonds (distance) C4'-P energy: -124.660
bonds (distance) P-C4' energy: -144.678
flat angles C4'-P-C4' energy: -145.106
flat angles P-C4'-P energy: -71.820
tors. eta vs tors. theta energy: -120.989
Dist. restrs. and SS energy: 7.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2799.512422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.512422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.541830 (E_RNA)
where:
Base-Base interactions energy: -1900.922
where: short stacking energy: -808.534
Base-Backbone interact. energy: 0.250
local terms energy: -899.870256
where:
bonds (distance) C4'-P energy: -172.686
bonds (distance) P-C4' energy: -168.374
flat angles C4'-P-C4' energy: -183.780
flat angles P-C4'-P energy: -136.481
tors. eta vs tors. theta energy: -238.548
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2720.831096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.831096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.904218 (E_RNA)
where:
Base-Base interactions energy: -1869.688
where: short stacking energy: -800.408
Base-Backbone interact. energy: -3.875
local terms energy: -850.341069
where:
bonds (distance) C4'-P energy: -159.449
bonds (distance) P-C4' energy: -155.675
flat angles C4'-P-C4' energy: -185.217
flat angles P-C4'-P energy: -119.789
tors. eta vs tors. theta energy: -230.212
Dist. restrs. and SS energy: 3.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2623.555924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.555924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.356619 (E_RNA)
where:
Base-Base interactions energy: -1788.509
where: short stacking energy: -799.274
Base-Backbone interact. energy: 4.347
local terms energy: -842.194839
where:
bonds (distance) C4'-P energy: -140.162
bonds (distance) P-C4' energy: -159.396
flat angles C4'-P-C4' energy: -188.687
flat angles P-C4'-P energy: -123.719
tors. eta vs tors. theta energy: -230.230
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2436.308178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.308178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.086658 (E_RNA)
where:
Base-Base interactions energy: -1648.721
where: short stacking energy: -719.604
Base-Backbone interact. energy: -2.716
local terms energy: -786.649368
where:
bonds (distance) C4'-P energy: -138.177
bonds (distance) P-C4' energy: -161.286
flat angles C4'-P-C4' energy: -167.998
flat angles P-C4'-P energy: -110.335
tors. eta vs tors. theta energy: -208.853
Dist. restrs. and SS energy: 1.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2271.462041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.462041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.442105 (E_RNA)
where:
Base-Base interactions energy: -1516.917
where: short stacking energy: -666.526
Base-Backbone interact. energy: 2.770
local terms energy: -759.295638
where:
bonds (distance) C4'-P energy: -125.063
bonds (distance) P-C4' energy: -155.625
flat angles C4'-P-C4' energy: -166.238
flat angles P-C4'-P energy: -113.568
tors. eta vs tors. theta energy: -198.802
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: 120
Temperature: 1.150000
Total energy: -2191.363859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.363859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.739521 (E_RNA)
where:
Base-Base interactions energy: -1473.756
where: short stacking energy: -629.910
Base-Backbone interact. energy: 4.368
local terms energy: -724.351585
where:
bonds (distance) C4'-P energy: -155.328
bonds (distance) P-C4' energy: -146.850
flat angles C4'-P-C4' energy: -153.764
flat angles P-C4'-P energy: -103.414
tors. eta vs tors. theta energy: -164.995
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2082.104229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.104229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.810937 (E_RNA)
where:
Base-Base interactions energy: -1390.516
where: short stacking energy: -583.618
Base-Backbone interact. energy: -0.290
local terms energy: -694.004872
where:
bonds (distance) C4'-P energy: -139.386
bonds (distance) P-C4' energy: -147.715
flat angles C4'-P-C4' energy: -154.853
flat angles P-C4'-P energy: -99.041
tors. eta vs tors. theta energy: -153.010
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: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2026.463806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.463806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.270031 (E_RNA)
where:
Base-Base interactions energy: -1396.097
where: short stacking energy: -568.417
Base-Backbone interact. energy: 0.466
local terms energy: -632.639502
where:
bonds (distance) C4'-P energy: -121.093
bonds (distance) P-C4' energy: -141.036
flat angles C4'-P-C4' energy: -143.755
flat angles P-C4'-P energy: -91.003
tors. eta vs tors. theta energy: -135.752
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: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1940.812013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.812013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.718538 (E_RNA)
where:
Base-Base interactions energy: -1334.252
where: short stacking energy: -556.192
Base-Backbone interact. energy: -2.564
local terms energy: -607.902868
where:
bonds (distance) C4'-P energy: -129.094
bonds (distance) P-C4' energy: -128.269
flat angles C4'-P-C4' energy: -128.770
flat angles P-C4'-P energy: -91.510
tors. eta vs tors. theta energy: -130.260
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: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1872.011236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.011236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.237421 (E_RNA)
where:
Base-Base interactions energy: -1278.802
where: short stacking energy: -535.243
Base-Backbone interact. energy: 3.159
local terms energy: -599.595195
where:
bonds (distance) C4'-P energy: -115.412
bonds (distance) P-C4' energy: -133.059
flat angles C4'-P-C4' energy: -140.009
flat angles P-C4'-P energy: -88.884
tors. eta vs tors. theta energy: -122.232
Dist. restrs. and SS energy: 3.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2763.805616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.805616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.324177 (E_RNA)
where:
Base-Base interactions energy: -1925.432
where: short stacking energy: -810.620
Base-Backbone interact. energy: -6.412
local terms energy: -833.480057
where:
bonds (distance) C4'-P energy: -157.576
bonds (distance) P-C4' energy: -160.883
flat angles C4'-P-C4' energy: -174.259
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -230.196
Dist. restrs. and SS energy: 1.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2729.460610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.460610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.443875 (E_RNA)
where:
Base-Base interactions energy: -1866.915
where: short stacking energy: -792.974
Base-Backbone interact. energy: -3.505
local terms energy: -861.023705
where:
bonds (distance) C4'-P energy: -163.740
bonds (distance) P-C4' energy: -152.009
flat angles C4'-P-C4' energy: -187.983
flat angles P-C4'-P energy: -122.676
tors. eta vs tors. theta energy: -234.616
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: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2600.180810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.180810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.591097 (E_RNA)
where:
Base-Base interactions energy: -1803.461
where: short stacking energy: -780.941
Base-Backbone interact. energy: 0.681
local terms energy: -798.811714
where:
bonds (distance) C4'-P energy: -131.283
bonds (distance) P-C4' energy: -144.284
flat angles C4'-P-C4' energy: -182.637
flat angles P-C4'-P energy: -125.092
tors. eta vs tors. theta energy: -215.515
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: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2386.985778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.985778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.273977 (E_RNA)
where:
Base-Base interactions energy: -1590.012
where: short stacking energy: -689.377
Base-Backbone interact. energy: 0.128
local terms energy: -799.389980
where:
bonds (distance) C4'-P energy: -158.668
bonds (distance) P-C4' energy: -166.933
flat angles C4'-P-C4' energy: -159.510
flat angles P-C4'-P energy: -118.029
tors. eta vs tors. theta energy: -196.251
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: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2285.669393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.669393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.603592 (E_RNA)
where:
Base-Base interactions energy: -1541.577
where: short stacking energy: -666.739
Base-Backbone interact. energy: -1.243
local terms energy: -744.784465
where:
bonds (distance) C4'-P energy: -144.471
bonds (distance) P-C4' energy: -136.194
flat angles C4'-P-C4' energy: -155.343
flat angles P-C4'-P energy: -114.162
tors. eta vs tors. theta energy: -194.613
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: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2187.947191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.947191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.268001 (E_RNA)
where:
Base-Base interactions energy: -1439.162
where: short stacking energy: -637.486
Base-Backbone interact. energy: -0.269
local terms energy: -749.837431
where:
bonds (distance) C4'-P energy: -150.706
bonds (distance) P-C4' energy: -153.783
flat angles C4'-P-C4' energy: -159.699
flat angles P-C4'-P energy: -108.169
tors. eta vs tors. theta energy: -177.480
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: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2094.068704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.068704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.843624 (E_RNA)
where:
Base-Base interactions energy: -1412.653
where: short stacking energy: -623.679
Base-Backbone interact. energy: -0.898
local terms energy: -682.293332
where:
bonds (distance) C4'-P energy: -123.867
bonds (distance) P-C4' energy: -139.320
flat angles C4'-P-C4' energy: -171.194
flat angles P-C4'-P energy: -86.733
tors. eta vs tors. theta energy: -161.179
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: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2071.977516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.977516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.120343 (E_RNA)
where:
Base-Base interactions energy: -1407.523
where: short stacking energy: -588.796
Base-Backbone interact. energy: 2.946
local terms energy: -669.543200
where:
bonds (distance) C4'-P energy: -137.279
bonds (distance) P-C4' energy: -132.690
flat angles C4'-P-C4' energy: -165.461
flat angles P-C4'-P energy: -92.725
tors. eta vs tors. theta energy: -141.388
Dist. restrs. and SS energy: 2.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1902.184069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.184069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.289901 (E_RNA)
where:
Base-Base interactions energy: -1286.013
where: short stacking energy: -549.928
Base-Backbone interact. energy: -0.736
local terms energy: -618.541463
where:
bonds (distance) C4'-P energy: -126.329
bonds (distance) P-C4' energy: -126.939
flat angles C4'-P-C4' energy: -143.469
flat angles P-C4'-P energy: -71.128
tors. eta vs tors. theta energy: -150.676
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1810.502299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.502299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.740696 (E_RNA)
where:
Base-Base interactions energy: -1233.286
where: short stacking energy: -510.252
Base-Backbone interact. energy: -2.262
local terms energy: -584.192639
where:
bonds (distance) C4'-P energy: -137.618
bonds (distance) P-C4' energy: -141.812
flat angles C4'-P-C4' energy: -121.360
flat angles P-C4'-P energy: -62.065
tors. eta vs tors. theta energy: -121.337
Dist. restrs. and SS energy: 9.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2772.240599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.240599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.235145 (E_RNA)
where:
Base-Base interactions energy: -1917.993
where: short stacking energy: -812.222
Base-Backbone interact. energy: -4.969
local terms energy: -850.272915
where:
bonds (distance) C4'-P energy: -155.505
bonds (distance) P-C4' energy: -161.372
flat angles C4'-P-C4' energy: -178.426
flat angles P-C4'-P energy: -115.959
tors. eta vs tors. theta energy: -239.011
Dist. restrs. and SS energy: 0.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2759.937673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.937673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.556614 (E_RNA)
where:
Base-Base interactions energy: -1898.281
where: short stacking energy: -823.218
Base-Backbone interact. energy: 3.604
local terms energy: -867.879249
where:
bonds (distance) C4'-P energy: -161.248
bonds (distance) P-C4' energy: -148.162
flat angles C4'-P-C4' energy: -186.435
flat angles P-C4'-P energy: -125.151
tors. eta vs tors. theta energy: -246.883
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2592.760255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.760255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.277350 (E_RNA)
where:
Base-Base interactions energy: -1786.978
where: short stacking energy: -778.771
Base-Backbone interact. energy: -0.647
local terms energy: -807.652290
where:
bonds (distance) C4'-P energy: -147.640
bonds (distance) P-C4' energy: -149.480
flat angles C4'-P-C4' energy: -177.295
flat angles P-C4'-P energy: -112.576
tors. eta vs tors. theta energy: -220.661
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: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2435.912191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.912191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.686588 (E_RNA)
where:
Base-Base interactions energy: -1637.700
where: short stacking energy: -733.354
Base-Backbone interact. energy: -4.027
local terms energy: -796.959797
where:
bonds (distance) C4'-P energy: -155.762
bonds (distance) P-C4' energy: -152.332
flat angles C4'-P-C4' energy: -172.719
flat angles P-C4'-P energy: -107.147
tors. eta vs tors. theta energy: -209.000
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: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2293.816300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.816300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.378060 (E_RNA)
where:
Base-Base interactions energy: -1555.612
where: short stacking energy: -634.167
Base-Backbone interact. energy: 2.711
local terms energy: -742.476714
where:
bonds (distance) C4'-P energy: -145.323
bonds (distance) P-C4' energy: -148.080
flat angles C4'-P-C4' energy: -162.222
flat angles P-C4'-P energy: -95.656
tors. eta vs tors. theta energy: -191.196
Dist. restrs. and SS energy: 1.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2207.335509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.335509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.396957 (E_RNA)
where:
Base-Base interactions energy: -1479.817
where: short stacking energy: -642.654
Base-Backbone interact. energy: -3.624
local terms energy: -725.955772
where:
bonds (distance) C4'-P energy: -140.619
bonds (distance) P-C4' energy: -138.947
flat angles C4'-P-C4' energy: -160.580
flat angles P-C4'-P energy: -101.486
tors. eta vs tors. theta energy: -184.324
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: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2063.828099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.828099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.373643 (E_RNA)
where:
Base-Base interactions energy: -1393.640
where: short stacking energy: -582.617
Base-Backbone interact. energy: 5.372
local terms energy: -678.105082
where:
bonds (distance) C4'-P energy: -143.381
bonds (distance) P-C4' energy: -131.198
flat angles C4'-P-C4' energy: -150.758
flat angles P-C4'-P energy: -102.640
tors. eta vs tors. theta energy: -150.129
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: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2054.319945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.319945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.904685 (E_RNA)
where:
Base-Base interactions energy: -1381.401
where: short stacking energy: -607.881
Base-Backbone interact. energy: -0.883
local terms energy: -673.621242
where:
bonds (distance) C4'-P energy: -130.156
bonds (distance) P-C4' energy: -129.461
flat angles C4'-P-C4' energy: -145.832
flat angles P-C4'-P energy: -104.244
tors. eta vs tors. theta energy: -163.928
Dist. restrs. and SS energy: 1.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1911.545582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.545582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.312647 (E_RNA)
where:
Base-Base interactions energy: -1286.399
where: short stacking energy: -528.606
Base-Backbone interact. energy: 4.359
local terms energy: -632.272917
where:
bonds (distance) C4'-P energy: -127.833
bonds (distance) P-C4' energy: -120.912
flat angles C4'-P-C4' energy: -134.998
flat angles P-C4'-P energy: -97.826
tors. eta vs tors. theta energy: -150.704
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: 122
Temperature: 1.350000
Total energy: -1838.656881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.656881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.904536 (E_RNA)
where:
Base-Base interactions energy: -1267.397
where: short stacking energy: -521.179
Base-Backbone interact. energy: 0.432
local terms energy: -573.939109
where:
bonds (distance) C4'-P energy: -104.479
bonds (distance) P-C4' energy: -128.523
flat angles C4'-P-C4' energy: -134.332
flat angles P-C4'-P energy: -79.269
tors. eta vs tors. theta energy: -127.336
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2774.085002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.085002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.485317 (E_RNA)
where:
Base-Base interactions energy: -1913.848
where: short stacking energy: -818.502
Base-Backbone interact. energy: -1.349
local terms energy: -860.288093
where:
bonds (distance) C4'-P energy: -163.578
bonds (distance) P-C4' energy: -166.165
flat angles C4'-P-C4' energy: -186.965
flat angles P-C4'-P energy: -104.511
tors. eta vs tors. theta energy: -239.069
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: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2723.780902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.780902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.452785 (E_RNA)
where:
Base-Base interactions energy: -1856.214
where: short stacking energy: -785.564
Base-Backbone interact. energy: -6.163
local terms energy: -864.076065
where:
bonds (distance) C4'-P energy: -162.242
bonds (distance) P-C4' energy: -163.614
flat angles C4'-P-C4' energy: -176.893
flat angles P-C4'-P energy: -119.143
tors. eta vs tors. theta energy: -242.185
Dist. restrs. and SS energy: 2.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2555.495381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.495381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.748418 (E_RNA)
where:
Base-Base interactions energy: -1763.885
where: short stacking energy: -752.031
Base-Backbone interact. energy: -2.806
local terms energy: -790.057299
where:
bonds (distance) C4'-P energy: -147.839
bonds (distance) P-C4' energy: -131.933
flat angles C4'-P-C4' energy: -174.907
flat angles P-C4'-P energy: -122.594
tors. eta vs tors. theta energy: -212.784
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2410.237009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.237009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.014160 (E_RNA)
where:
Base-Base interactions energy: -1658.978
where: short stacking energy: -697.046
Base-Backbone interact. energy: -6.045
local terms energy: -746.991631
where:
bonds (distance) C4'-P energy: -143.716
bonds (distance) P-C4' energy: -131.261
flat angles C4'-P-C4' energy: -165.929
flat angles P-C4'-P energy: -110.628
tors. eta vs tors. theta energy: -195.458
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2306.142306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.142306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.605323 (E_RNA)
where:
Base-Base interactions energy: -1565.869
where: short stacking energy: -682.554
Base-Backbone interact. energy: 2.125
local terms energy: -744.862028
where:
bonds (distance) C4'-P energy: -129.982
bonds (distance) P-C4' energy: -147.353
flat angles C4'-P-C4' energy: -171.444
flat angles P-C4'-P energy: -99.278
tors. eta vs tors. theta energy: -196.805
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: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2225.842132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.842132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.167340 (E_RNA)
where:
Base-Base interactions energy: -1490.100
where: short stacking energy: -659.208
Base-Backbone interact. energy: -0.130
local terms energy: -736.936896
where:
bonds (distance) C4'-P energy: -139.248
bonds (distance) P-C4' energy: -159.758
flat angles C4'-P-C4' energy: -161.575
flat angles P-C4'-P energy: -98.503
tors. eta vs tors. theta energy: -177.853
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: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2074.992990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.992990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.651349 (E_RNA)
where:
Base-Base interactions energy: -1398.910
where: short stacking energy: -607.164
Base-Backbone interact. energy: 0.180
local terms energy: -677.920669
where:
bonds (distance) C4'-P energy: -144.504
bonds (distance) P-C4' energy: -144.412
flat angles C4'-P-C4' energy: -146.133
flat angles P-C4'-P energy: -93.904
tors. eta vs tors. theta energy: -148.968
Dist. restrs. and SS energy: 1.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2019.333006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.333006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.990737 (E_RNA)
where:
Base-Base interactions energy: -1379.931
where: short stacking energy: -584.472
Base-Backbone interact. energy: -3.263
local terms energy: -637.796199
where:
bonds (distance) C4'-P energy: -124.056
bonds (distance) P-C4' energy: -127.931
flat angles C4'-P-C4' energy: -150.189
flat angles P-C4'-P energy: -87.249
tors. eta vs tors. theta energy: -148.372
Dist. restrs. and SS energy: 1.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1974.689993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.689993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.410410 (E_RNA)
where:
Base-Base interactions energy: -1327.650
where: short stacking energy: -548.810
Base-Backbone interact. energy: -2.130
local terms energy: -646.631093
where:
bonds (distance) C4'-P energy: -125.302
bonds (distance) P-C4' energy: -129.400
flat angles C4'-P-C4' energy: -131.742
flat angles P-C4'-P energy: -108.824
tors. eta vs tors. theta energy: -151.363
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: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1820.531014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.531014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.973327 (E_RNA)
where:
Base-Base interactions energy: -1241.405
where: short stacking energy: -497.906
Base-Backbone interact. energy: 3.212
local terms energy: -584.779884
where:
bonds (distance) C4'-P energy: -141.524
bonds (distance) P-C4' energy: -116.551
flat angles C4'-P-C4' energy: -130.033
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -119.352
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: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2762.235574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.235574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.803897 (E_RNA)
where:
Base-Base interactions energy: -1909.341
where: short stacking energy: -800.795
Base-Backbone interact. energy: 0.190
local terms energy: -854.652862
where:
bonds (distance) C4'-P energy: -149.743
bonds (distance) P-C4' energy: -165.182
flat angles C4'-P-C4' energy: -183.460
flat angles P-C4'-P energy: -124.597
tors. eta vs tors. theta energy: -231.670
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: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2702.836558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.836558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.946008 (E_RNA)
where:
Base-Base interactions energy: -1864.686
where: short stacking energy: -807.133
Base-Backbone interact. energy: 2.769
local terms energy: -842.029150
where:
bonds (distance) C4'-P energy: -158.263
bonds (distance) P-C4' energy: -150.827
flat angles C4'-P-C4' energy: -185.466
flat angles P-C4'-P energy: -111.568
tors. eta vs tors. theta energy: -235.906
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2552.920826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.920826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.548653 (E_RNA)
where:
Base-Base interactions energy: -1755.050
where: short stacking energy: -766.472
Base-Backbone interact. energy: -0.761
local terms energy: -798.737399
where:
bonds (distance) C4'-P energy: -151.391
bonds (distance) P-C4' energy: -139.598
flat angles C4'-P-C4' energy: -171.258
flat angles P-C4'-P energy: -114.829
tors. eta vs tors. theta energy: -221.662
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2420.678159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.678159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.984495 (E_RNA)
where:
Base-Base interactions energy: -1676.975
where: short stacking energy: -715.955
Base-Backbone interact. energy: -2.588
local terms energy: -742.421504
where:
bonds (distance) C4'-P energy: -135.617
bonds (distance) P-C4' energy: -145.115
flat angles C4'-P-C4' energy: -174.039
flat angles P-C4'-P energy: -101.537
tors. eta vs tors. theta energy: -186.114
Dist. restrs. and SS energy: 1.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2273.413481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.413481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.689816 (E_RNA)
where:
Base-Base interactions energy: -1532.366
where: short stacking energy: -682.940
Base-Backbone interact. energy: -0.265
local terms energy: -742.058705
where:
bonds (distance) C4'-P energy: -149.464
bonds (distance) P-C4' energy: -122.412
flat angles C4'-P-C4' energy: -174.589
flat angles P-C4'-P energy: -106.490
tors. eta vs tors. theta energy: -189.104
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: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2211.790806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.790806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.771421 (E_RNA)
where:
Base-Base interactions energy: -1470.395
where: short stacking energy: -640.484
Base-Backbone interact. energy: -1.492
local terms energy: -741.883723
where:
bonds (distance) C4'-P energy: -145.439
bonds (distance) P-C4' energy: -146.699
flat angles C4'-P-C4' energy: -163.467
flat angles P-C4'-P energy: -106.474
tors. eta vs tors. theta energy: -179.805
Dist. restrs. and SS energy: 1.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2090.062668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.062668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.602995 (E_RNA)
where:
Base-Base interactions energy: -1400.594
where: short stacking energy: -608.726
Base-Backbone interact. energy: -0.154
local terms energy: -690.854264
where:
bonds (distance) C4'-P energy: -132.204
bonds (distance) P-C4' energy: -136.014
flat angles C4'-P-C4' energy: -150.404
flat angles P-C4'-P energy: -91.594
tors. eta vs tors. theta energy: -180.638
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: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2015.515112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.515112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.899291 (E_RNA)
where:
Base-Base interactions energy: -1361.545
where: short stacking energy: -559.908
Base-Backbone interact. energy: -0.097
local terms energy: -657.256577
where:
bonds (distance) C4'-P energy: -134.700
bonds (distance) P-C4' energy: -137.054
flat angles C4'-P-C4' energy: -153.978
flat angles P-C4'-P energy: -92.087
tors. eta vs tors. theta energy: -139.438
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1928.758347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.758347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.736605 (E_RNA)
where:
Base-Base interactions energy: -1332.707
where: short stacking energy: -537.495
Base-Backbone interact. energy: 5.860
local terms energy: -604.889391
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -149.901
flat angles C4'-P-C4' energy: -137.049
flat angles P-C4'-P energy: -60.467
tors. eta vs tors. theta energy: -139.863
Dist. restrs. and SS energy: 2.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1814.449793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.449793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.501742 (E_RNA)
where:
Base-Base interactions energy: -1234.433
where: short stacking energy: -504.863
Base-Backbone interact. energy: 1.415
local terms energy: -590.483574
where:
bonds (distance) C4'-P energy: -129.786
bonds (distance) P-C4' energy: -145.300
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -68.340
tors. eta vs tors. theta energy: -115.442
Dist. restrs. and SS energy: 9.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2795.178014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.178014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.260942 (E_RNA)
where:
Base-Base interactions energy: -1916.414
where: short stacking energy: -811.339
Base-Backbone interact. energy: -3.537
local terms energy: -877.309640
where:
bonds (distance) C4'-P energy: -163.548
bonds (distance) P-C4' energy: -163.286
flat angles C4'-P-C4' energy: -193.149
flat angles P-C4'-P energy: -115.384
tors. eta vs tors. theta energy: -241.942
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2721.603145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.603145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.730965 (E_RNA)
where:
Base-Base interactions energy: -1885.626
where: short stacking energy: -824.757
Base-Backbone interact. energy: -0.419
local terms energy: -836.686458
where:
bonds (distance) C4'-P energy: -150.351
bonds (distance) P-C4' energy: -166.239
flat angles C4'-P-C4' energy: -172.576
flat angles P-C4'-P energy: -114.011
tors. eta vs tors. theta energy: -233.510
Dist. restrs. and SS energy: 1.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2582.264321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.264321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.164051 (E_RNA)
where:
Base-Base interactions energy: -1754.204
where: short stacking energy: -735.779
Base-Backbone interact. energy: -1.857
local terms energy: -827.102988
where:
bonds (distance) C4'-P energy: -155.591
bonds (distance) P-C4' energy: -151.395
flat angles C4'-P-C4' energy: -180.368
flat angles P-C4'-P energy: -120.470
tors. eta vs tors. theta energy: -219.279
Dist. restrs. and SS energy: 0.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2412.995840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.995840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.832972 (E_RNA)
where:
Base-Base interactions energy: -1610.146
where: short stacking energy: -700.605
Base-Backbone interact. energy: 2.313
local terms energy: -806.999840
where:
bonds (distance) C4'-P energy: -141.334
bonds (distance) P-C4' energy: -167.690
flat angles C4'-P-C4' energy: -177.260
flat angles P-C4'-P energy: -112.933
tors. eta vs tors. theta energy: -207.783
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: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2259.166807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.166807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.754650 (E_RNA)
where:
Base-Base interactions energy: -1495.139
where: short stacking energy: -640.612
Base-Backbone interact. energy: 0.633
local terms energy: -766.248387
where:
bonds (distance) C4'-P energy: -147.650
bonds (distance) P-C4' energy: -140.702
flat angles C4'-P-C4' energy: -180.165
flat angles P-C4'-P energy: -124.775
tors. eta vs tors. theta energy: -172.956
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: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2180.861496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.861496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.826239 (E_RNA)
where:
Base-Base interactions energy: -1461.472
where: short stacking energy: -657.300
Base-Backbone interact. energy: -0.587
local terms energy: -720.767204
where:
bonds (distance) C4'-P energy: -131.805
bonds (distance) P-C4' energy: -142.131
flat angles C4'-P-C4' energy: -162.846
flat angles P-C4'-P energy: -102.119
tors. eta vs tors. theta energy: -181.866
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2111.398461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.398461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.750970 (E_RNA)
where:
Base-Base interactions energy: -1435.742
where: short stacking energy: -596.962
Base-Backbone interact. energy: 0.733
local terms energy: -679.742020
where:
bonds (distance) C4'-P energy: -138.369
bonds (distance) P-C4' energy: -134.127
flat angles C4'-P-C4' energy: -157.271
flat angles P-C4'-P energy: -103.844
tors. eta vs tors. theta energy: -146.130
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: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1986.689434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.689434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.214762 (E_RNA)
where:
Base-Base interactions energy: -1343.358
where: short stacking energy: -580.568
Base-Backbone interact. energy: 0.858
local terms energy: -647.713963
where:
bonds (distance) C4'-P energy: -108.876
bonds (distance) P-C4' energy: -129.438
flat angles C4'-P-C4' energy: -151.875
flat angles P-C4'-P energy: -99.755
tors. eta vs tors. theta energy: -157.770
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1968.103017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.103017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.511309 (E_RNA)
where:
Base-Base interactions energy: -1339.065
where: short stacking energy: -566.188
Base-Backbone interact. energy: -0.174
local terms energy: -630.272554
where:
bonds (distance) C4'-P energy: -108.062
bonds (distance) P-C4' energy: -132.941
flat angles C4'-P-C4' energy: -148.622
flat angles P-C4'-P energy: -96.293
tors. eta vs tors. theta energy: -144.354
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: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1806.938181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.938181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.947361 (E_RNA)
where:
Base-Base interactions energy: -1210.383
where: short stacking energy: -510.245
Base-Backbone interact. energy: -0.997
local terms energy: -601.567440
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -115.540
flat angles C4'-P-C4' energy: -145.532
flat angles P-C4'-P energy: -86.418
tors. eta vs tors. theta energy: -131.947
Dist. restrs. and SS energy: 6.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2837.788478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.788478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.058261 (E_RNA)
where:
Base-Base interactions energy: -1956.481
where: short stacking energy: -841.335
Base-Backbone interact. energy: -6.088
local terms energy: -876.489912
where:
bonds (distance) C4'-P energy: -162.657
bonds (distance) P-C4' energy: -167.516
flat angles C4'-P-C4' energy: -171.525
flat angles P-C4'-P energy: -124.425
tors. eta vs tors. theta energy: -250.368
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2708.411117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.411117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.161280 (E_RNA)
where:
Base-Base interactions energy: -1877.042
where: short stacking energy: -823.968
Base-Backbone interact. energy: -0.252
local terms energy: -832.867197
where:
bonds (distance) C4'-P energy: -148.702
bonds (distance) P-C4' energy: -149.956
flat angles C4'-P-C4' energy: -171.845
flat angles P-C4'-P energy: -120.303
tors. eta vs tors. theta energy: -242.062
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2595.725615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.725615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.420236 (E_RNA)
where:
Base-Base interactions energy: -1764.346
where: short stacking energy: -748.271
Base-Backbone interact. energy: 0.867
local terms energy: -832.940872
where:
bonds (distance) C4'-P energy: -143.601
bonds (distance) P-C4' energy: -163.368
flat angles C4'-P-C4' energy: -187.606
flat angles P-C4'-P energy: -115.793
tors. eta vs tors. theta energy: -222.573
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2431.694328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.694328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.898878 (E_RNA)
where:
Base-Base interactions energy: -1659.204
where: short stacking energy: -690.518
Base-Backbone interact. energy: -4.859
local terms energy: -769.835631
where:
bonds (distance) C4'-P energy: -146.639
bonds (distance) P-C4' energy: -140.042
flat angles C4'-P-C4' energy: -171.472
flat angles P-C4'-P energy: -111.915
tors. eta vs tors. theta energy: -199.768
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: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2345.870067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.870067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.830744 (E_RNA)
where:
Base-Base interactions energy: -1574.765
where: short stacking energy: -717.574
Base-Backbone interact. energy: -1.884
local terms energy: -772.181280
where:
bonds (distance) C4'-P energy: -142.426
bonds (distance) P-C4' energy: -155.819
flat angles C4'-P-C4' energy: -163.198
flat angles P-C4'-P energy: -113.068
tors. eta vs tors. theta energy: -197.670
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: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2188.045607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.045607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.072517 (E_RNA)
where:
Base-Base interactions energy: -1461.863
where: short stacking energy: -656.504
Base-Backbone interact. energy: -1.274
local terms energy: -726.935715
where:
bonds (distance) C4'-P energy: -133.051
bonds (distance) P-C4' energy: -146.042
flat angles C4'-P-C4' energy: -159.394
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -196.286
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: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2070.133264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.133264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.505448 (E_RNA)
where:
Base-Base interactions energy: -1408.300
where: short stacking energy: -609.489
Base-Backbone interact. energy: 10.345
local terms energy: -674.550115
where:
bonds (distance) C4'-P energy: -126.331
bonds (distance) P-C4' energy: -131.884
flat angles C4'-P-C4' energy: -161.504
flat angles P-C4'-P energy: -98.617
tors. eta vs tors. theta energy: -156.214
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -2036.754267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.754267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.705738 (E_RNA)
where:
Base-Base interactions energy: -1354.803
where: short stacking energy: -582.045
Base-Backbone interact. energy: -0.445
local terms energy: -685.457703
where:
bonds (distance) C4'-P energy: -164.997
bonds (distance) P-C4' energy: -131.455
flat angles C4'-P-C4' energy: -145.217
flat angles P-C4'-P energy: -99.578
tors. eta vs tors. theta energy: -144.211
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1921.922165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.922165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.325125 (E_RNA)
where:
Base-Base interactions energy: -1293.715
where: short stacking energy: -555.868
Base-Backbone interact. energy: -0.990
local terms energy: -630.619487
where:
bonds (distance) C4'-P energy: -118.924
bonds (distance) P-C4' energy: -126.385
flat angles C4'-P-C4' energy: -133.253
flat angles P-C4'-P energy: -95.799
tors. eta vs tors. theta energy: -156.258
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: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1800.023194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.023194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.597793 (E_RNA)
where:
Base-Base interactions energy: -1246.740
where: short stacking energy: -482.568
Base-Backbone interact. energy: -3.021
local terms energy: -553.836605
where:
bonds (distance) C4'-P energy: -121.270
bonds (distance) P-C4' energy: -117.334
flat angles C4'-P-C4' energy: -135.133
flat angles P-C4'-P energy: -72.503
tors. eta vs tors. theta energy: -107.597
Dist. restrs. and SS energy: 3.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2795.155081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.155081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.795603 (E_RNA)
where:
Base-Base interactions energy: -1922.088
where: short stacking energy: -804.110
Base-Backbone interact. energy: -5.173
local terms energy: -869.534244
where:
bonds (distance) C4'-P energy: -157.440
bonds (distance) P-C4' energy: -166.818
flat angles C4'-P-C4' energy: -175.781
flat angles P-C4'-P energy: -118.098
tors. eta vs tors. theta energy: -251.397
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2773.834311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.834311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.453577 (E_RNA)
where:
Base-Base interactions energy: -1894.758
where: short stacking energy: -830.386
Base-Backbone interact. energy: 0.598
local terms energy: -880.293971
where:
bonds (distance) C4'-P energy: -172.696
bonds (distance) P-C4' energy: -151.026
flat angles C4'-P-C4' energy: -188.872
flat angles P-C4'-P energy: -116.460
tors. eta vs tors. theta energy: -251.240
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2522.355196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.355196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.121520 (E_RNA)
where:
Base-Base interactions energy: -1731.355
where: short stacking energy: -760.833
Base-Backbone interact. energy: 0.697
local terms energy: -792.463544
where:
bonds (distance) C4'-P energy: -128.874
bonds (distance) P-C4' energy: -154.831
flat angles C4'-P-C4' energy: -176.511
flat angles P-C4'-P energy: -118.213
tors. eta vs tors. theta energy: -214.034
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2469.261713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.261713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.964151 (E_RNA)
where:
Base-Base interactions energy: -1645.275
where: short stacking energy: -698.366
Base-Backbone interact. energy: -2.727
local terms energy: -822.962232
where:
bonds (distance) C4'-P energy: -150.119
bonds (distance) P-C4' energy: -153.690
flat angles C4'-P-C4' energy: -177.680
flat angles P-C4'-P energy: -129.284
tors. eta vs tors. theta energy: -212.189
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: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2306.482567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.482567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.602631 (E_RNA)
where:
Base-Base interactions energy: -1539.563
where: short stacking energy: -677.756
Base-Backbone interact. energy: 6.449
local terms energy: -774.488970
where:
bonds (distance) C4'-P energy: -146.195
bonds (distance) P-C4' energy: -157.896
flat angles C4'-P-C4' energy: -170.714
flat angles P-C4'-P energy: -103.440
tors. eta vs tors. theta energy: -196.244
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: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2169.506294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.506294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.662142 (E_RNA)
where:
Base-Base interactions energy: -1442.827
where: short stacking energy: -622.443
Base-Backbone interact. energy: 7.746
local terms energy: -736.581698
where:
bonds (distance) C4'-P energy: -143.689
bonds (distance) P-C4' energy: -163.869
flat angles C4'-P-C4' energy: -165.666
flat angles P-C4'-P energy: -92.203
tors. eta vs tors. theta energy: -171.155
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2099.534702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.534702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.237233 (E_RNA)
where:
Base-Base interactions energy: -1424.310
where: short stacking energy: -590.751
Base-Backbone interact. energy: -1.832
local terms energy: -675.094939
where:
bonds (distance) C4'-P energy: -119.523
bonds (distance) P-C4' energy: -142.176
flat angles C4'-P-C4' energy: -162.932
flat angles P-C4'-P energy: -88.614
tors. eta vs tors. theta energy: -161.849
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: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2074.688039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.688039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.470933 (E_RNA)
where:
Base-Base interactions energy: -1409.443
where: short stacking energy: -582.678
Base-Backbone interact. energy: -1.238
local terms energy: -666.789542
where:
bonds (distance) C4'-P energy: -133.846
bonds (distance) P-C4' energy: -133.733
flat angles C4'-P-C4' energy: -151.989
flat angles P-C4'-P energy: -90.439
tors. eta vs tors. theta energy: -156.782
Dist. restrs. and SS energy: 2.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1907.312553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.312553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.627412 (E_RNA)
where:
Base-Base interactions energy: -1289.776
where: short stacking energy: -548.745
Base-Backbone interact. energy: 6.182
local terms energy: -627.033959
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -135.835
flat angles C4'-P-C4' energy: -122.881
flat angles P-C4'-P energy: -102.972
tors. eta vs tors. theta energy: -141.445
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1821.240117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.240117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.806720 (E_RNA)
where:
Base-Base interactions energy: -1242.279
where: short stacking energy: -511.465
Base-Backbone interact. energy: 1.603
local terms energy: -584.131624
where:
bonds (distance) C4'-P energy: -125.944
bonds (distance) P-C4' energy: -127.642
flat angles C4'-P-C4' energy: -129.739
flat angles P-C4'-P energy: -75.540
tors. eta vs tors. theta energy: -125.267
Dist. restrs. and SS energy: 3.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2793.740616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.740616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.684494 (E_RNA)
where:
Base-Base interactions energy: -1934.314
where: short stacking energy: -832.518
Base-Backbone interact. energy: -3.327
local terms energy: -857.043913
where:
bonds (distance) C4'-P energy: -142.125
bonds (distance) P-C4' energy: -179.589
flat angles C4'-P-C4' energy: -165.431
flat angles P-C4'-P energy: -136.552
tors. eta vs tors. theta energy: -233.347
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: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2708.869853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.869853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.304725 (E_RNA)
where:
Base-Base interactions energy: -1860.264
where: short stacking energy: -788.951
Base-Backbone interact. energy: -0.904
local terms energy: -849.136768
where:
bonds (distance) C4'-P energy: -152.844
bonds (distance) P-C4' energy: -161.631
flat angles C4'-P-C4' energy: -194.615
flat angles P-C4'-P energy: -118.082
tors. eta vs tors. theta energy: -221.964
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2578.509935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.509935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.843258 (E_RNA)
where:
Base-Base interactions energy: -1741.591
where: short stacking energy: -745.441
Base-Backbone interact. energy: -0.136
local terms energy: -838.115794
where:
bonds (distance) C4'-P energy: -160.308
bonds (distance) P-C4' energy: -164.278
flat angles C4'-P-C4' energy: -177.506
flat angles P-C4'-P energy: -120.189
tors. eta vs tors. theta energy: -215.834
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: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2444.290516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.290516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.349638 (E_RNA)
where:
Base-Base interactions energy: -1658.704
where: short stacking energy: -705.495
Base-Backbone interact. energy: -3.074
local terms energy: -785.571918
where:
bonds (distance) C4'-P energy: -138.884
bonds (distance) P-C4' energy: -161.326
flat angles C4'-P-C4' energy: -165.977
flat angles P-C4'-P energy: -109.228
tors. eta vs tors. theta energy: -210.158
Dist. restrs. and SS energy: 3.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2273.205152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.205152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.563424 (E_RNA)
where:
Base-Base interactions energy: -1523.559
where: short stacking energy: -667.176
Base-Backbone interact. energy: 2.785
local terms energy: -753.789115
where:
bonds (distance) C4'-P energy: -144.404
bonds (distance) P-C4' energy: -155.270
flat angles C4'-P-C4' energy: -157.633
flat angles P-C4'-P energy: -106.237
tors. eta vs tors. theta energy: -190.245
Dist. restrs. and SS energy: 1.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2168.401820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.401820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.243790 (E_RNA)
where:
Base-Base interactions energy: -1500.781
where: short stacking energy: -668.209
Base-Backbone interact. energy: 0.194
local terms energy: -669.656897
where:
bonds (distance) C4'-P energy: -130.928
bonds (distance) P-C4' energy: -111.747
flat angles C4'-P-C4' energy: -139.964
flat angles P-C4'-P energy: -95.423
tors. eta vs tors. theta energy: -191.594
Dist. restrs. and SS energy: 1.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2069.723494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.723494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.135323 (E_RNA)
where:
Base-Base interactions energy: -1405.353
where: short stacking energy: -598.737
Base-Backbone interact. energy: -0.366
local terms energy: -667.416594
where:
bonds (distance) C4'-P energy: -131.259
bonds (distance) P-C4' energy: -141.937
flat angles C4'-P-C4' energy: -146.220
flat angles P-C4'-P energy: -81.322
tors. eta vs tors. theta energy: -166.679
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2030.800586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.800586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.875423 (E_RNA)
where:
Base-Base interactions energy: -1369.934
where: short stacking energy: -589.000
Base-Backbone interact. energy: 0.976
local terms energy: -663.917928
where:
bonds (distance) C4'-P energy: -122.635
bonds (distance) P-C4' energy: -134.419
flat angles C4'-P-C4' energy: -156.655
flat angles P-C4'-P energy: -92.678
tors. eta vs tors. theta energy: -157.530
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1930.012452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.012452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.982162 (E_RNA)
where:
Base-Base interactions energy: -1302.361
where: short stacking energy: -564.249
Base-Backbone interact. energy: 2.036
local terms energy: -637.656882
where:
bonds (distance) C4'-P energy: -132.717
bonds (distance) P-C4' energy: -131.600
flat angles C4'-P-C4' energy: -145.739
flat angles P-C4'-P energy: -85.861
tors. eta vs tors. theta energy: -141.740
Dist. restrs. and SS energy: 7.970 (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: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1766.030985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.030985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.716150 (E_RNA)
where:
Base-Base interactions energy: -1198.337
where: short stacking energy: -480.141
Base-Backbone interact. energy: 0.725
local terms energy: -573.103972
where:
bonds (distance) C4'-P energy: -124.018
bonds (distance) P-C4' energy: -132.877
flat angles C4'-P-C4' energy: -142.969
flat angles P-C4'-P energy: -65.814
tors. eta vs tors. theta energy: -107.426
Dist. restrs. and SS energy: 4.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2797.471571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.471571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.596330 (E_RNA)
where:
Base-Base interactions energy: -1916.722
where: short stacking energy: -826.437
Base-Backbone interact. energy: -3.952
local terms energy: -877.921920
where:
bonds (distance) C4'-P energy: -156.375
bonds (distance) P-C4' energy: -181.415
flat angles C4'-P-C4' energy: -171.238
flat angles P-C4'-P energy: -128.126
tors. eta vs tors. theta energy: -240.768
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: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2702.395104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.395104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.180078 (E_RNA)
where:
Base-Base interactions energy: -1868.741
where: short stacking energy: -789.361
Base-Backbone interact. energy: -1.829
local terms energy: -833.610232
where:
bonds (distance) C4'-P energy: -152.108
bonds (distance) P-C4' energy: -150.333
flat angles C4'-P-C4' energy: -183.357
flat angles P-C4'-P energy: -124.372
tors. eta vs tors. theta energy: -223.440
Dist. restrs. and SS energy: 1.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2566.874507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.874507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.664664 (E_RNA)
where:
Base-Base interactions energy: -1773.845
where: short stacking energy: -754.732
Base-Backbone interact. energy: -4.937
local terms energy: -789.882957
where:
bonds (distance) C4'-P energy: -143.141
bonds (distance) P-C4' energy: -144.000
flat angles C4'-P-C4' energy: -179.956
flat angles P-C4'-P energy: -104.560
tors. eta vs tors. theta energy: -218.227
Dist. restrs. and SS energy: 1.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2432.291494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.291494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.618434 (E_RNA)
where:
Base-Base interactions energy: -1657.351
where: short stacking energy: -710.929
Base-Backbone interact. energy: -0.216
local terms energy: -776.051515
where:
bonds (distance) C4'-P energy: -141.072
bonds (distance) P-C4' energy: -162.155
flat angles C4'-P-C4' energy: -176.442
flat angles P-C4'-P energy: -99.936
tors. eta vs tors. theta energy: -196.447
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2279.571276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.571276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.473953 (E_RNA)
where:
Base-Base interactions energy: -1528.699
where: short stacking energy: -667.453
Base-Backbone interact. energy: -4.053
local terms energy: -748.721737
where:
bonds (distance) C4'-P energy: -122.443
bonds (distance) P-C4' energy: -155.688
flat angles C4'-P-C4' energy: -178.722
flat angles P-C4'-P energy: -119.595
tors. eta vs tors. theta energy: -172.273
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: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2241.429213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.429213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.187430 (E_RNA)
where:
Base-Base interactions energy: -1532.833
where: short stacking energy: -676.906
Base-Backbone interact. energy: -3.592
local terms energy: -707.762238
where:
bonds (distance) C4'-P energy: -130.869
bonds (distance) P-C4' energy: -142.052
flat angles C4'-P-C4' energy: -149.828
flat angles P-C4'-P energy: -109.479
tors. eta vs tors. theta energy: -175.534
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: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2090.030583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.030583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.621859 (E_RNA)
where:
Base-Base interactions energy: -1400.184
where: short stacking energy: -606.379
Base-Backbone interact. energy: 1.021
local terms energy: -692.458511
where:
bonds (distance) C4'-P energy: -123.051
bonds (distance) P-C4' energy: -151.183
flat angles C4'-P-C4' energy: -143.889
flat angles P-C4'-P energy: -113.295
tors. eta vs tors. theta energy: -161.041
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: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2035.400802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.400802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.871324 (E_RNA)
where:
Base-Base interactions energy: -1398.547
where: short stacking energy: -588.220
Base-Backbone interact. energy: 2.919
local terms energy: -642.243618
where:
bonds (distance) C4'-P energy: -121.542
bonds (distance) P-C4' energy: -143.526
flat angles C4'-P-C4' energy: -138.958
flat angles P-C4'-P energy: -80.865
tors. eta vs tors. theta energy: -157.352
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1930.343773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.343773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.005959 (E_RNA)
where:
Base-Base interactions energy: -1329.866
where: short stacking energy: -542.853
Base-Backbone interact. energy: 1.585
local terms energy: -604.725294
where:
bonds (distance) C4'-P energy: -140.088
bonds (distance) P-C4' energy: -118.929
flat angles C4'-P-C4' energy: -137.712
flat angles P-C4'-P energy: -74.991
tors. eta vs tors. theta energy: -133.004
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1826.645821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.645821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.992316 (E_RNA)
where:
Base-Base interactions energy: -1212.167
where: short stacking energy: -509.675
Base-Backbone interact. energy: 1.615
local terms energy: -623.441078
where:
bonds (distance) C4'-P energy: -104.672
bonds (distance) P-C4' energy: -142.336
flat angles C4'-P-C4' energy: -165.453
flat angles P-C4'-P energy: -85.234
tors. eta vs tors. theta energy: -125.746
Dist. restrs. and SS energy: 7.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2770.986008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.986008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.061073 (E_RNA)
where:
Base-Base interactions energy: -1897.953
where: short stacking energy: -794.164
Base-Backbone interact. energy: -1.093
local terms energy: -873.014716
where:
bonds (distance) C4'-P energy: -155.746
bonds (distance) P-C4' energy: -176.396
flat angles C4'-P-C4' energy: -186.337
flat angles P-C4'-P energy: -123.812
tors. eta vs tors. theta energy: -230.723
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2705.405021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.405021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.328205 (E_RNA)
where:
Base-Base interactions energy: -1881.193
where: short stacking energy: -777.619
Base-Backbone interact. energy: 0.240
local terms energy: -825.375153
where:
bonds (distance) C4'-P energy: -153.071
bonds (distance) P-C4' energy: -143.038
flat angles C4'-P-C4' energy: -176.514
flat angles P-C4'-P energy: -130.635
tors. eta vs tors. theta energy: -222.117
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2591.843846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.843846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.386692 (E_RNA)
where:
Base-Base interactions energy: -1767.369
where: short stacking energy: -779.135
Base-Backbone interact. energy: 2.643
local terms energy: -828.660680
where:
bonds (distance) C4'-P energy: -157.172
bonds (distance) P-C4' energy: -158.632
flat angles C4'-P-C4' energy: -183.439
flat angles P-C4'-P energy: -104.344
tors. eta vs tors. theta energy: -225.073
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2392.768408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.768408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.344768 (E_RNA)
where:
Base-Base interactions energy: -1581.940
where: short stacking energy: -677.036
Base-Backbone interact. energy: 1.340
local terms energy: -814.744426
where:
bonds (distance) C4'-P energy: -166.415
bonds (distance) P-C4' energy: -163.009
flat angles C4'-P-C4' energy: -164.651
flat angles P-C4'-P energy: -120.064
tors. eta vs tors. theta energy: -200.606
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: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2265.446149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.446149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.638497 (E_RNA)
where:
Base-Base interactions energy: -1551.886
where: short stacking energy: -662.756
Base-Backbone interact. energy: -3.652
local terms energy: -713.100315
where:
bonds (distance) C4'-P energy: -144.187
bonds (distance) P-C4' energy: -124.990
flat angles C4'-P-C4' energy: -165.005
flat angles P-C4'-P energy: -90.450
tors. eta vs tors. theta energy: -188.468
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2226.450671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.450671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.813370 (E_RNA)
where:
Base-Base interactions energy: -1498.037
where: short stacking energy: -623.898
Base-Backbone interact. energy: 2.515
local terms energy: -733.290805
where:
bonds (distance) C4'-P energy: -146.544
bonds (distance) P-C4' energy: -140.204
flat angles C4'-P-C4' energy: -162.707
flat angles P-C4'-P energy: -114.928
tors. eta vs tors. theta energy: -168.908
Dist. restrs. and SS energy: 2.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2080.906870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.906870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.355967 (E_RNA)
where:
Base-Base interactions energy: -1412.572
where: short stacking energy: -600.827
Base-Backbone interact. energy: -0.433
local terms energy: -670.350380
where:
bonds (distance) C4'-P energy: -130.284
bonds (distance) P-C4' energy: -146.786
flat angles C4'-P-C4' energy: -141.110
flat angles P-C4'-P energy: -98.697
tors. eta vs tors. theta energy: -153.472
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: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2039.588949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.588949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.706296 (E_RNA)
where:
Base-Base interactions energy: -1369.005
where: short stacking energy: -571.273
Base-Backbone interact. energy: -1.283
local terms energy: -672.417840
where:
bonds (distance) C4'-P energy: -130.060
bonds (distance) P-C4' energy: -149.785
flat angles C4'-P-C4' energy: -164.917
flat angles P-C4'-P energy: -81.540
tors. eta vs tors. theta energy: -146.116
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1884.164933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.164933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.229338 (E_RNA)
where:
Base-Base interactions energy: -1284.280
where: short stacking energy: -519.394
Base-Backbone interact. energy: 4.967
local terms energy: -606.916178
where:
bonds (distance) C4'-P energy: -142.852
bonds (distance) P-C4' energy: -118.255
flat angles C4'-P-C4' energy: -138.548
flat angles P-C4'-P energy: -79.974
tors. eta vs tors. theta energy: -127.287
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: 130
Temperature: 1.350000
Total energy: -1791.227592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.227592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.512332 (E_RNA)
where:
Base-Base interactions energy: -1187.985
where: short stacking energy: -466.636
Base-Backbone interact. energy: -2.159
local terms energy: -610.368031
where:
bonds (distance) C4'-P energy: -122.310
bonds (distance) P-C4' energy: -132.139
flat angles C4'-P-C4' energy: -153.024
flat angles P-C4'-P energy: -86.438
tors. eta vs tors. theta energy: -116.456
Dist. restrs. and SS energy: 9.285 (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: 131
Temperature: 0.900000
Total energy: -2805.005954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.005954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.120683 (E_RNA)
where:
Base-Base interactions energy: -1945.944
where: short stacking energy: -816.923
Base-Backbone interact. energy: -3.915
local terms energy: -856.261320
where:
bonds (distance) C4'-P energy: -167.322
bonds (distance) P-C4' energy: -168.893
flat angles C4'-P-C4' energy: -183.145
flat angles P-C4'-P energy: -109.979
tors. eta vs tors. theta energy: -226.922
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: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2719.862567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.862567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.720781 (E_RNA)
where:
Base-Base interactions energy: -1913.491
where: short stacking energy: -814.322
Base-Backbone interact. energy: -1.536
local terms energy: -806.694174
where:
bonds (distance) C4'-P energy: -134.008
bonds (distance) P-C4' energy: -141.557
flat angles C4'-P-C4' energy: -180.553
flat angles P-C4'-P energy: -123.610
tors. eta vs tors. theta energy: -226.966
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2523.407078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.407078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.640826 (E_RNA)
where:
Base-Base interactions energy: -1708.259
where: short stacking energy: -749.825
Base-Backbone interact. energy: -1.069
local terms energy: -816.312800
where:
bonds (distance) C4'-P energy: -157.815
bonds (distance) P-C4' energy: -156.858
flat angles C4'-P-C4' energy: -171.250
flat angles P-C4'-P energy: -112.172
tors. eta vs tors. theta energy: -218.217
Dist. restrs. and SS energy: 2.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2435.356380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.356380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.809766 (E_RNA)
where:
Base-Base interactions energy: -1675.455
where: short stacking energy: -714.743
Base-Backbone interact. energy: -5.672
local terms energy: -756.682546
where:
bonds (distance) C4'-P energy: -150.250
bonds (distance) P-C4' energy: -146.960
flat angles C4'-P-C4' energy: -153.702
flat angles P-C4'-P energy: -107.970
tors. eta vs tors. theta energy: -197.802
Dist. restrs. and SS energy: 2.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2317.015272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.015272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.412368 (E_RNA)
where:
Base-Base interactions energy: -1548.085
where: short stacking energy: -636.654
Base-Backbone interact. energy: -1.736
local terms energy: -769.590627
where:
bonds (distance) C4'-P energy: -158.907
bonds (distance) P-C4' energy: -153.457
flat angles C4'-P-C4' energy: -171.224
flat angles P-C4'-P energy: -105.403
tors. eta vs tors. theta energy: -180.599
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: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2175.886428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.886428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.687023 (E_RNA)
where:
Base-Base interactions energy: -1463.733
where: short stacking energy: -651.262
Base-Backbone interact. energy: -2.827
local terms energy: -711.127092
where:
bonds (distance) C4'-P energy: -113.002
bonds (distance) P-C4' energy: -142.802
flat angles C4'-P-C4' energy: -164.020
flat angles P-C4'-P energy: -111.874
tors. eta vs tors. theta energy: -179.430
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: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2072.861280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.861280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.577048 (E_RNA)
where:
Base-Base interactions energy: -1406.397
where: short stacking energy: -614.242
Base-Backbone interact. energy: 6.761
local terms energy: -675.940461
where:
bonds (distance) C4'-P energy: -128.566
bonds (distance) P-C4' energy: -129.797
flat angles C4'-P-C4' energy: -167.657
flat angles P-C4'-P energy: -100.156
tors. eta vs tors. theta energy: -149.765
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: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2042.109007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.109007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.413098 (E_RNA)
where:
Base-Base interactions energy: -1411.774
where: short stacking energy: -603.257
Base-Backbone interact. energy: -0.314
local terms energy: -632.325823
where:
bonds (distance) C4'-P energy: -132.082
bonds (distance) P-C4' energy: -119.121
flat angles C4'-P-C4' energy: -142.833
flat angles P-C4'-P energy: -89.982
tors. eta vs tors. theta energy: -148.308
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: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1936.983206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.983206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.615168 (E_RNA)
where:
Base-Base interactions energy: -1310.590
where: short stacking energy: -537.818
Base-Backbone interact. energy: -0.597
local terms energy: -628.428179
where:
bonds (distance) C4'-P energy: -150.465
bonds (distance) P-C4' energy: -136.637
flat angles C4'-P-C4' energy: -138.246
flat angles P-C4'-P energy: -63.611
tors. eta vs tors. theta energy: -139.469
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: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1835.458259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.458259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.678584 (E_RNA)
where:
Base-Base interactions energy: -1242.270
where: short stacking energy: -516.527
Base-Backbone interact. energy: -5.303
local terms energy: -591.105941
where:
bonds (distance) C4'-P energy: -93.673
bonds (distance) P-C4' energy: -142.296
flat angles C4'-P-C4' energy: -152.209
flat angles P-C4'-P energy: -78.761
tors. eta vs tors. theta energy: -124.168
Dist. restrs. and SS energy: 3.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2781.499478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.499478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.125313 (E_RNA)
where:
Base-Base interactions energy: -1918.090
where: short stacking energy: -817.603
Base-Backbone interact. energy: -0.195
local terms energy: -864.840986
where:
bonds (distance) C4'-P energy: -142.917
bonds (distance) P-C4' energy: -168.090
flat angles C4'-P-C4' energy: -191.655
flat angles P-C4'-P energy: -122.396
tors. eta vs tors. theta energy: -239.783
Dist. restrs. and SS energy: 1.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2701.877883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.877883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.998465 (E_RNA)
where:
Base-Base interactions energy: -1865.898
where: short stacking energy: -806.017
Base-Backbone interact. energy: -0.346
local terms energy: -836.755167
where:
bonds (distance) C4'-P energy: -172.917
bonds (distance) P-C4' energy: -162.542
flat angles C4'-P-C4' energy: -172.174
flat angles P-C4'-P energy: -100.282
tors. eta vs tors. theta energy: -228.840
Dist. restrs. and SS energy: 1.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2528.760568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.760568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.692522 (E_RNA)
where:
Base-Base interactions energy: -1727.015
where: short stacking energy: -715.601
Base-Backbone interact. energy: -4.082
local terms energy: -800.595441
where:
bonds (distance) C4'-P energy: -150.369
bonds (distance) P-C4' energy: -154.309
flat angles C4'-P-C4' energy: -181.218
flat angles P-C4'-P energy: -118.551
tors. eta vs tors. theta energy: -196.149
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2454.958101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.958101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.370275 (E_RNA)
where:
Base-Base interactions energy: -1663.409
where: short stacking energy: -706.129
Base-Backbone interact. energy: -3.054
local terms energy: -789.906963
where:
bonds (distance) C4'-P energy: -142.872
bonds (distance) P-C4' energy: -159.937
flat angles C4'-P-C4' energy: -159.350
flat angles P-C4'-P energy: -126.793
tors. eta vs tors. theta energy: -200.954
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2308.354869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.354869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.205795 (E_RNA)
where:
Base-Base interactions energy: -1560.790
where: short stacking energy: -705.922
Base-Backbone interact. energy: 2.594
local terms energy: -752.010354
where:
bonds (distance) C4'-P energy: -115.349
bonds (distance) P-C4' energy: -158.614
flat angles C4'-P-C4' energy: -169.958
flat angles P-C4'-P energy: -110.128
tors. eta vs tors. theta energy: -197.962
Dist. restrs. and SS energy: 1.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2201.754321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.754321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.381181 (E_RNA)
where:
Base-Base interactions energy: -1490.289
where: short stacking energy: -645.869
Base-Backbone interact. energy: -2.056
local terms energy: -711.035569
where:
bonds (distance) C4'-P energy: -145.829
bonds (distance) P-C4' energy: -137.274
flat angles C4'-P-C4' energy: -152.687
flat angles P-C4'-P energy: -98.008
tors. eta vs tors. theta energy: -177.238
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: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2152.645454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.645454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.081027 (E_RNA)
where:
Base-Base interactions energy: -1426.836
where: short stacking energy: -610.633
Base-Backbone interact. energy: -2.800
local terms energy: -724.445036
where:
bonds (distance) C4'-P energy: -147.648
bonds (distance) P-C4' energy: -149.302
flat angles C4'-P-C4' energy: -158.266
flat angles P-C4'-P energy: -103.132
tors. eta vs tors. theta energy: -166.097
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: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2000.900943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.900943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.424773 (E_RNA)
where:
Base-Base interactions energy: -1359.040
where: short stacking energy: -575.456
Base-Backbone interact. energy: -2.092
local terms energy: -643.293351
where:
bonds (distance) C4'-P energy: -123.450
bonds (distance) P-C4' energy: -142.454
flat angles C4'-P-C4' energy: -146.328
flat angles P-C4'-P energy: -77.106
tors. eta vs tors. theta energy: -153.955
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1960.542856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.542856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.128604 (E_RNA)
where:
Base-Base interactions energy: -1329.890
where: short stacking energy: -520.240
Base-Backbone interact. energy: -3.206
local terms energy: -629.033331
where:
bonds (distance) C4'-P energy: -134.740
bonds (distance) P-C4' energy: -128.990
flat angles C4'-P-C4' energy: -142.906
flat angles P-C4'-P energy: -100.677
tors. eta vs tors. theta energy: -121.721
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: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1892.789919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.789919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.931301 (E_RNA)
where:
Base-Base interactions energy: -1294.098
where: short stacking energy: -536.396
Base-Backbone interact. energy: 1.483
local terms energy: -602.315997
where:
bonds (distance) C4'-P energy: -102.269
bonds (distance) P-C4' energy: -127.928
flat angles C4'-P-C4' energy: -141.901
flat angles P-C4'-P energy: -95.254
tors. eta vs tors. theta energy: -134.964
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2826.576110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.576110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.837854 (E_RNA)
where:
Base-Base interactions energy: -1954.422
where: short stacking energy: -812.636
Base-Backbone interact. energy: 3.575
local terms energy: -876.991268
where:
bonds (distance) C4'-P energy: -178.685
bonds (distance) P-C4' energy: -160.189
flat angles C4'-P-C4' energy: -190.721
flat angles P-C4'-P energy: -113.442
tors. eta vs tors. theta energy: -233.955
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2686.300596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.300596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.536463 (E_RNA)
where:
Base-Base interactions energy: -1854.317
where: short stacking energy: -791.259
Base-Backbone interact. energy: -2.143
local terms energy: -831.076685
where:
bonds (distance) C4'-P energy: -150.965
bonds (distance) P-C4' energy: -158.307
flat angles C4'-P-C4' energy: -178.911
flat angles P-C4'-P energy: -119.497
tors. eta vs tors. theta energy: -223.397
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2522.519975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.519975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.579080 (E_RNA)
where:
Base-Base interactions energy: -1731.228
where: short stacking energy: -743.080
Base-Backbone interact. energy: 0.533
local terms energy: -793.883691
where:
bonds (distance) C4'-P energy: -143.833
bonds (distance) P-C4' energy: -158.240
flat angles C4'-P-C4' energy: -175.981
flat angles P-C4'-P energy: -108.951
tors. eta vs tors. theta energy: -206.879
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: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2434.473331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.473331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.808573 (E_RNA)
where:
Base-Base interactions energy: -1654.016
where: short stacking energy: -714.281
Base-Backbone interact. energy: -3.571
local terms energy: -779.221226
where:
bonds (distance) C4'-P energy: -150.051
bonds (distance) P-C4' energy: -154.701
flat angles C4'-P-C4' energy: -171.509
flat angles P-C4'-P energy: -114.089
tors. eta vs tors. theta energy: -188.872
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2342.088772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.088772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.543072 (E_RNA)
where:
Base-Base interactions energy: -1581.547
where: short stacking energy: -667.198
Base-Backbone interact. energy: -4.118
local terms energy: -758.878005
where:
bonds (distance) C4'-P energy: -147.380
bonds (distance) P-C4' energy: -155.198
flat angles C4'-P-C4' energy: -168.564
flat angles P-C4'-P energy: -107.411
tors. eta vs tors. theta energy: -180.325
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: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2205.488672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.488672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.292758 (E_RNA)
where:
Base-Base interactions energy: -1486.004
where: short stacking energy: -621.324
Base-Backbone interact. energy: 7.930
local terms energy: -729.218918
where:
bonds (distance) C4'-P energy: -137.367
bonds (distance) P-C4' energy: -140.851
flat angles C4'-P-C4' energy: -163.858
flat angles P-C4'-P energy: -114.038
tors. eta vs tors. theta energy: -173.105
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2051.325372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.325372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.081842 (E_RNA)
where:
Base-Base interactions energy: -1387.160
where: short stacking energy: -597.655
Base-Backbone interact. energy: -0.783
local terms energy: -666.139427
where:
bonds (distance) C4'-P energy: -128.068
bonds (distance) P-C4' energy: -135.650
flat angles C4'-P-C4' energy: -145.030
flat angles P-C4'-P energy: -89.955
tors. eta vs tors. theta energy: -167.437
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2035.360071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.360071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.966479 (E_RNA)
where:
Base-Base interactions energy: -1416.794
where: short stacking energy: -591.577
Base-Backbone interact. energy: 3.594
local terms energy: -623.766734
where:
bonds (distance) C4'-P energy: -125.297
bonds (distance) P-C4' energy: -129.090
flat angles C4'-P-C4' energy: -139.939
flat angles P-C4'-P energy: -75.817
tors. eta vs tors. theta energy: -153.624
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1910.947114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.947114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.532365 (E_RNA)
where:
Base-Base interactions energy: -1315.850
where: short stacking energy: -558.078
Base-Backbone interact. energy: 0.955
local terms energy: -599.637158
where:
bonds (distance) C4'-P energy: -128.791
bonds (distance) P-C4' energy: -131.140
flat angles C4'-P-C4' energy: -122.277
flat angles P-C4'-P energy: -82.924
tors. eta vs tors. theta energy: -134.505
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: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1823.721080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.721080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.129069 (E_RNA)
where:
Base-Base interactions energy: -1245.923
where: short stacking energy: -526.710
Base-Backbone interact. energy: 0.064
local terms energy: -582.269983
where:
bonds (distance) C4'-P energy: -139.012
bonds (distance) P-C4' energy: -118.422
flat angles C4'-P-C4' energy: -131.309
flat angles P-C4'-P energy: -65.583
tors. eta vs tors. theta energy: -127.944
Dist. restrs. and SS energy: 4.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2814.080139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.080139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.830999 (E_RNA)
where:
Base-Base interactions energy: -1974.792
where: short stacking energy: -839.357
Base-Backbone interact. energy: 1.625
local terms energy: -841.663108
where:
bonds (distance) C4'-P energy: -149.678
bonds (distance) P-C4' energy: -164.489
flat angles C4'-P-C4' energy: -177.312
flat angles P-C4'-P energy: -123.822
tors. eta vs tors. theta energy: -226.362
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: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2695.679835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.679835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.551712 (E_RNA)
where:
Base-Base interactions energy: -1862.625
where: short stacking energy: -786.702
Base-Backbone interact. energy: -1.970
local terms energy: -832.955972
where:
bonds (distance) C4'-P energy: -148.346
bonds (distance) P-C4' energy: -160.075
flat angles C4'-P-C4' energy: -190.025
flat angles P-C4'-P energy: -107.169
tors. eta vs tors. theta energy: -227.340
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: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2542.903313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.903313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.452155 (E_RNA)
where:
Base-Base interactions energy: -1767.916
where: short stacking energy: -763.702
Base-Backbone interact. energy: -0.779
local terms energy: -776.756796
where:
bonds (distance) C4'-P energy: -159.020
bonds (distance) P-C4' energy: -135.158
flat angles C4'-P-C4' energy: -155.114
flat angles P-C4'-P energy: -112.150
tors. eta vs tors. theta energy: -215.314
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: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2444.140591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.140591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.618760 (E_RNA)
where:
Base-Base interactions energy: -1675.519
where: short stacking energy: -723.690
Base-Backbone interact. energy: 2.959
local terms energy: -773.058519
where:
bonds (distance) C4'-P energy: -143.641
bonds (distance) P-C4' energy: -153.897
flat angles C4'-P-C4' energy: -162.832
flat angles P-C4'-P energy: -106.519
tors. eta vs tors. theta energy: -206.169
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: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2341.866910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.866910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.480965 (E_RNA)
where:
Base-Base interactions energy: -1592.746
where: short stacking energy: -665.357
Base-Backbone interact. energy: 1.025
local terms energy: -752.760011
where:
bonds (distance) C4'-P energy: -142.084
bonds (distance) P-C4' energy: -133.273
flat angles C4'-P-C4' energy: -169.358
flat angles P-C4'-P energy: -112.513
tors. eta vs tors. theta energy: -195.533
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2203.772731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.772731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.162596 (E_RNA)
where:
Base-Base interactions energy: -1479.782
where: short stacking energy: -661.437
Base-Backbone interact. energy: -4.266
local terms energy: -722.115535
where:
bonds (distance) C4'-P energy: -125.671
bonds (distance) P-C4' energy: -161.017
flat angles C4'-P-C4' energy: -161.894
flat angles P-C4'-P energy: -83.951
tors. eta vs tors. theta energy: -189.583
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: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2124.227356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.227356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.684542 (E_RNA)
where:
Base-Base interactions energy: -1448.806
where: short stacking energy: -640.015
Base-Backbone interact. energy: -3.047
local terms energy: -673.831451
where:
bonds (distance) C4'-P energy: -124.232
bonds (distance) P-C4' energy: -138.958
flat angles C4'-P-C4' energy: -158.104
flat angles P-C4'-P energy: -87.734
tors. eta vs tors. theta energy: -164.803
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: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2030.640696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.640696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.820430 (E_RNA)
where:
Base-Base interactions energy: -1390.986
where: short stacking energy: -575.624
Base-Backbone interact. energy: 1.458
local terms energy: -643.292634
where:
bonds (distance) C4'-P energy: -142.825
bonds (distance) P-C4' energy: -144.820
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -82.720
tors. eta vs tors. theta energy: -142.299
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1929.638781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.638781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.880983 (E_RNA)
where:
Base-Base interactions energy: -1279.930
where: short stacking energy: -539.156
Base-Backbone interact. energy: -2.854
local terms energy: -649.096155
where:
bonds (distance) C4'-P energy: -146.932
bonds (distance) P-C4' energy: -143.104
flat angles C4'-P-C4' energy: -138.662
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -132.917
Dist. restrs. and SS energy: 2.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1909.812364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.812364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.530465 (E_RNA)
where:
Base-Base interactions energy: -1300.069
where: short stacking energy: -527.069
Base-Backbone interact. energy: -1.208
local terms energy: -611.254104
where:
bonds (distance) C4'-P energy: -124.896
bonds (distance) P-C4' energy: -128.548
flat angles C4'-P-C4' energy: -133.362
flat angles P-C4'-P energy: -84.297
tors. eta vs tors. theta energy: -140.152
Dist. restrs. and SS energy: 2.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2805.609414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.609414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.700833 (E_RNA)
where:
Base-Base interactions energy: -1963.434
where: short stacking energy: -817.018
Base-Backbone interact. energy: -3.781
local terms energy: -839.485021
where:
bonds (distance) C4'-P energy: -164.534
bonds (distance) P-C4' energy: -155.695
flat angles C4'-P-C4' energy: -176.703
flat angles P-C4'-P energy: -119.981
tors. eta vs tors. theta energy: -222.572
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2717.400187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.400187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.263210 (E_RNA)
where:
Base-Base interactions energy: -1882.978
where: short stacking energy: -799.254
Base-Backbone interact. energy: -3.838
local terms energy: -832.447384
where:
bonds (distance) C4'-P energy: -152.755
bonds (distance) P-C4' energy: -157.036
flat angles C4'-P-C4' energy: -179.599
flat angles P-C4'-P energy: -113.080
tors. eta vs tors. theta energy: -229.978
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: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2589.775220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.775220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.440477 (E_RNA)
where:
Base-Base interactions energy: -1779.005
where: short stacking energy: -777.674
Base-Backbone interact. energy: -2.507
local terms energy: -810.928556
where:
bonds (distance) C4'-P energy: -137.331
bonds (distance) P-C4' energy: -141.464
flat angles C4'-P-C4' energy: -181.878
flat angles P-C4'-P energy: -132.546
tors. eta vs tors. theta energy: -217.710
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2504.744973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.744973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.527215 (E_RNA)
where:
Base-Base interactions energy: -1686.823
where: short stacking energy: -767.931
Base-Backbone interact. energy: -2.334
local terms energy: -817.369575
where:
bonds (distance) C4'-P energy: -146.142
bonds (distance) P-C4' energy: -164.727
flat angles C4'-P-C4' energy: -181.488
flat angles P-C4'-P energy: -115.317
tors. eta vs tors. theta energy: -209.696
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: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2348.454111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.454111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.285219 (E_RNA)
where:
Base-Base interactions energy: -1595.922
where: short stacking energy: -678.335
Base-Backbone interact. energy: 3.819
local terms energy: -759.182293
where:
bonds (distance) C4'-P energy: -143.025
bonds (distance) P-C4' energy: -126.950
flat angles C4'-P-C4' energy: -175.069
flat angles P-C4'-P energy: -113.900
tors. eta vs tors. theta energy: -200.238
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2191.864535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.864535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.863486 (E_RNA)
where:
Base-Base interactions energy: -1472.106
where: short stacking energy: -655.955
Base-Backbone interact. energy: 2.201
local terms energy: -724.958396
where:
bonds (distance) C4'-P energy: -118.669
bonds (distance) P-C4' energy: -145.484
flat angles C4'-P-C4' energy: -162.727
flat angles P-C4'-P energy: -114.153
tors. eta vs tors. theta energy: -183.925
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: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2098.025305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.025305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.826761 (E_RNA)
where:
Base-Base interactions energy: -1430.259
where: short stacking energy: -618.026
Base-Backbone interact. energy: 5.198
local terms energy: -674.765111
where:
bonds (distance) C4'-P energy: -135.737
bonds (distance) P-C4' energy: -126.829
flat angles C4'-P-C4' energy: -163.863
flat angles P-C4'-P energy: -91.097
tors. eta vs tors. theta energy: -157.239
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: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2039.371428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.371428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.937191 (E_RNA)
where:
Base-Base interactions energy: -1382.349
where: short stacking energy: -601.489
Base-Backbone interact. energy: 6.050
local terms energy: -665.638303
where:
bonds (distance) C4'-P energy: -142.258
bonds (distance) P-C4' energy: -148.906
flat angles C4'-P-C4' energy: -152.981
flat angles P-C4'-P energy: -69.146
tors. eta vs tors. theta energy: -152.348
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: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1929.184609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.184609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.363662 (E_RNA)
where:
Base-Base interactions energy: -1299.416
where: short stacking energy: -530.353
Base-Backbone interact. energy: 0.781
local terms energy: -633.728376
where:
bonds (distance) C4'-P energy: -141.003
bonds (distance) P-C4' energy: -133.125
flat angles C4'-P-C4' energy: -128.111
flat angles P-C4'-P energy: -91.280
tors. eta vs tors. theta energy: -140.210
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1895.334993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.334993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.987297 (E_RNA)
where:
Base-Base interactions energy: -1289.005
where: short stacking energy: -534.569
Base-Backbone interact. energy: -3.585
local terms energy: -605.397585
where:
bonds (distance) C4'-P energy: -121.431
bonds (distance) P-C4' energy: -117.774
flat angles C4'-P-C4' energy: -153.224
flat angles P-C4'-P energy: -65.830
tors. eta vs tors. theta energy: -147.138
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: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2824.089157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.089157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.496714 (E_RNA)
where:
Base-Base interactions energy: -1982.875
where: short stacking energy: -817.679
Base-Backbone interact. energy: -3.492
local terms energy: -839.129782
where:
bonds (distance) C4'-P energy: -146.517
bonds (distance) P-C4' energy: -152.361
flat angles C4'-P-C4' energy: -184.267
flat angles P-C4'-P energy: -125.625
tors. eta vs tors. theta energy: -230.360
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: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2708.054569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.054569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.863909 (E_RNA)
where:
Base-Base interactions energy: -1867.851
where: short stacking energy: -764.881
Base-Backbone interact. energy: -1.822
local terms energy: -840.191040
where:
bonds (distance) C4'-P energy: -160.339
bonds (distance) P-C4' energy: -168.731
flat angles C4'-P-C4' energy: -182.976
flat angles P-C4'-P energy: -114.768
tors. eta vs tors. theta energy: -213.377
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2544.374097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.374097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.050619 (E_RNA)
where:
Base-Base interactions energy: -1734.800
where: short stacking energy: -752.686
Base-Backbone interact. energy: -3.357
local terms energy: -808.894140
where:
bonds (distance) C4'-P energy: -151.509
bonds (distance) P-C4' energy: -151.490
flat angles C4'-P-C4' energy: -181.039
flat angles P-C4'-P energy: -119.447
tors. eta vs tors. theta energy: -205.409
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: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2493.467073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.467073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.605246 (E_RNA)
where:
Base-Base interactions energy: -1711.782
where: short stacking energy: -712.696
Base-Backbone interact. energy: -2.575
local terms energy: -784.248002
where:
bonds (distance) C4'-P energy: -158.712
bonds (distance) P-C4' energy: -159.340
flat angles C4'-P-C4' energy: -159.004
flat angles P-C4'-P energy: -114.128
tors. eta vs tors. theta energy: -193.064
Dist. restrs. and SS energy: 5.138 (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: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2351.077817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.077817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.674931 (E_RNA)
where:
Base-Base interactions energy: -1595.733
where: short stacking energy: -695.702
Base-Backbone interact. energy: -3.002
local terms energy: -754.939480
where:
bonds (distance) C4'-P energy: -143.028
bonds (distance) P-C4' energy: -134.574
flat angles C4'-P-C4' energy: -159.277
flat angles P-C4'-P energy: -111.118
tors. eta vs tors. theta energy: -206.943
Dist. restrs. and SS energy: 2.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2186.312911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.312911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.518898 (E_RNA)
where:
Base-Base interactions energy: -1461.416
where: short stacking energy: -646.413
Base-Backbone interact. energy: 0.736
local terms energy: -728.838460
where:
bonds (distance) C4'-P energy: -120.252
bonds (distance) P-C4' energy: -143.504
flat angles C4'-P-C4' energy: -171.267
flat angles P-C4'-P energy: -111.353
tors. eta vs tors. theta energy: -182.463
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: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2101.337432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.337432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.328596 (E_RNA)
where:
Base-Base interactions energy: -1425.271
where: short stacking energy: -604.155
Base-Backbone interact. energy: -3.092
local terms energy: -674.965415
where:
bonds (distance) C4'-P energy: -111.213
bonds (distance) P-C4' energy: -139.239
flat angles C4'-P-C4' energy: -159.611
flat angles P-C4'-P energy: -101.724
tors. eta vs tors. theta energy: -163.179
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: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2039.329132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.329132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.466080 (E_RNA)
where:
Base-Base interactions energy: -1381.541
where: short stacking energy: -589.253
Base-Backbone interact. energy: 8.838
local terms energy: -668.762768
where:
bonds (distance) C4'-P energy: -128.607
bonds (distance) P-C4' energy: -123.707
flat angles C4'-P-C4' energy: -164.815
flat angles P-C4'-P energy: -89.939
tors. eta vs tors. theta energy: -161.694
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: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1909.314151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.314151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.156737 (E_RNA)
where:
Base-Base interactions energy: -1281.324
where: short stacking energy: -541.484
Base-Backbone interact. energy: 2.999
local terms energy: -633.832151
where:
bonds (distance) C4'-P energy: -130.218
bonds (distance) P-C4' energy: -135.601
flat angles C4'-P-C4' energy: -120.541
flat angles P-C4'-P energy: -89.154
tors. eta vs tors. theta energy: -158.318
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1899.626314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.626314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.393849 (E_RNA)
where:
Base-Base interactions energy: -1302.403
where: short stacking energy: -535.573
Base-Backbone interact. energy: 1.631
local terms energy: -605.622489
where:
bonds (distance) C4'-P energy: -127.672
bonds (distance) P-C4' energy: -118.867
flat angles C4'-P-C4' energy: -137.219
flat angles P-C4'-P energy: -87.668
tors. eta vs tors. theta energy: -134.196
Dist. restrs. and SS energy: 6.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2807.301132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.301132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.194881 (E_RNA)
where:
Base-Base interactions energy: -1940.588
where: short stacking energy: -800.279
Base-Backbone interact. energy: -4.196
local terms energy: -864.410051
where:
bonds (distance) C4'-P energy: -159.753
bonds (distance) P-C4' energy: -159.225
flat angles C4'-P-C4' energy: -187.530
flat angles P-C4'-P energy: -124.484
tors. eta vs tors. theta energy: -233.418
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: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2708.142828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.142828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.232473 (E_RNA)
where:
Base-Base interactions energy: -1879.815
where: short stacking energy: -792.073
Base-Backbone interact. energy: 0.842
local terms energy: -830.258709
where:
bonds (distance) C4'-P energy: -149.234
bonds (distance) P-C4' energy: -163.691
flat angles C4'-P-C4' energy: -176.246
flat angles P-C4'-P energy: -111.450
tors. eta vs tors. theta energy: -229.638
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2573.876841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.876841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.806805 (E_RNA)
where:
Base-Base interactions energy: -1774.310
where: short stacking energy: -772.076
Base-Backbone interact. energy: -3.763
local terms energy: -798.733769
where:
bonds (distance) C4'-P energy: -145.458
bonds (distance) P-C4' energy: -142.384
flat angles C4'-P-C4' energy: -176.040
flat angles P-C4'-P energy: -111.615
tors. eta vs tors. theta energy: -223.236
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2444.060499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.060499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.676008 (E_RNA)
where:
Base-Base interactions energy: -1710.281
where: short stacking energy: -724.072
Base-Backbone interact. energy: 6.621
local terms energy: -743.016156
where:
bonds (distance) C4'-P energy: -138.070
bonds (distance) P-C4' energy: -144.659
flat angles C4'-P-C4' energy: -167.233
flat angles P-C4'-P energy: -95.098
tors. eta vs tors. theta energy: -197.957
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2402.184927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.184927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.248026 (E_RNA)
where:
Base-Base interactions energy: -1632.401
where: short stacking energy: -729.579
Base-Backbone interact. energy: -2.871
local terms energy: -767.976244
where:
bonds (distance) C4'-P energy: -150.986
bonds (distance) P-C4' energy: -143.131
flat angles C4'-P-C4' energy: -170.678
flat angles P-C4'-P energy: -94.540
tors. eta vs tors. theta energy: -208.640
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: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2246.710237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.710237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.254998 (E_RNA)
where:
Base-Base interactions energy: -1493.441
where: short stacking energy: -639.519
Base-Backbone interact. energy: -5.063
local terms energy: -750.751496
where:
bonds (distance) C4'-P energy: -145.593
bonds (distance) P-C4' energy: -148.583
flat angles C4'-P-C4' energy: -164.137
flat angles P-C4'-P energy: -102.232
tors. eta vs tors. theta energy: -190.206
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: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2135.068295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.068295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.916423 (E_RNA)
where:
Base-Base interactions energy: -1448.414
where: short stacking energy: -591.982
Base-Backbone interact. energy: 0.601
local terms energy: -689.103997
where:
bonds (distance) C4'-P energy: -131.999
bonds (distance) P-C4' energy: -147.018
flat angles C4'-P-C4' energy: -152.321
flat angles P-C4'-P energy: -99.366
tors. eta vs tors. theta energy: -158.400
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: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2043.373693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.373693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.857967 (E_RNA)
where:
Base-Base interactions energy: -1394.251
where: short stacking energy: -603.540
Base-Backbone interact. energy: 1.063
local terms energy: -652.669471
where:
bonds (distance) C4'-P energy: -130.663
bonds (distance) P-C4' energy: -128.760
flat angles C4'-P-C4' energy: -146.556
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -156.218
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: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1932.216774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.216774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.274828 (E_RNA)
where:
Base-Base interactions energy: -1319.702
where: short stacking energy: -554.959
Base-Backbone interact. energy: 0.304
local terms energy: -615.876629
where:
bonds (distance) C4'-P energy: -124.640
bonds (distance) P-C4' energy: -148.818
flat angles C4'-P-C4' energy: -127.634
flat angles P-C4'-P energy: -88.900
tors. eta vs tors. theta energy: -125.885
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: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1828.198570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.198570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.853805 (E_RNA)
where:
Base-Base interactions energy: -1226.905
where: short stacking energy: -492.871
Base-Backbone interact. energy: 0.795
local terms energy: -604.744014
where:
bonds (distance) C4'-P energy: -131.307
bonds (distance) P-C4' energy: -123.933
flat angles C4'-P-C4' energy: -131.563
flat angles P-C4'-P energy: -99.974
tors. eta vs tors. theta energy: -117.967
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2831.951120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.951120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.213418 (E_RNA)
where:
Base-Base interactions energy: -1937.662
where: short stacking energy: -812.348
Base-Backbone interact. energy: -3.346
local terms energy: -893.205881
where:
bonds (distance) C4'-P energy: -158.025
bonds (distance) P-C4' energy: -165.772
flat angles C4'-P-C4' energy: -201.284
flat angles P-C4'-P energy: -137.400
tors. eta vs tors. theta energy: -230.724
Dist. restrs. and SS energy: 2.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2700.206087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.206087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.525703 (E_RNA)
where:
Base-Base interactions energy: -1863.550
where: short stacking energy: -787.232
Base-Backbone interact. energy: -5.523
local terms energy: -833.452074
where:
bonds (distance) C4'-P energy: -146.198
bonds (distance) P-C4' energy: -153.515
flat angles C4'-P-C4' energy: -186.268
flat angles P-C4'-P energy: -126.302
tors. eta vs tors. theta energy: -221.168
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: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2587.958617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.958617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.760426 (E_RNA)
where:
Base-Base interactions energy: -1763.548
where: short stacking energy: -772.766
Base-Backbone interact. energy: -1.338
local terms energy: -824.874622
where:
bonds (distance) C4'-P energy: -154.326
bonds (distance) P-C4' energy: -153.205
flat angles C4'-P-C4' energy: -182.593
flat angles P-C4'-P energy: -106.976
tors. eta vs tors. theta energy: -227.775
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: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2483.042679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.042679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.783677 (E_RNA)
where:
Base-Base interactions energy: -1716.468
where: short stacking energy: -729.217
Base-Backbone interact. energy: -4.291
local terms energy: -766.025180
where:
bonds (distance) C4'-P energy: -133.234
bonds (distance) P-C4' energy: -154.996
flat angles C4'-P-C4' energy: -158.731
flat angles P-C4'-P energy: -113.961
tors. eta vs tors. theta energy: -205.103
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: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2392.477931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.477931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.114238 (E_RNA)
where:
Base-Base interactions energy: -1630.148
where: short stacking energy: -688.904
Base-Backbone interact. energy: 2.320
local terms energy: -766.286210
where:
bonds (distance) C4'-P energy: -146.237
bonds (distance) P-C4' energy: -143.053
flat angles C4'-P-C4' energy: -165.199
flat angles P-C4'-P energy: -107.056
tors. eta vs tors. theta energy: -204.740
Dist. restrs. and SS energy: 1.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2250.763510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.763510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.968831 (E_RNA)
where:
Base-Base interactions energy: -1520.886
where: short stacking energy: -654.761
Base-Backbone interact. energy: -1.796
local terms energy: -730.286431
where:
bonds (distance) C4'-P energy: -136.526
bonds (distance) P-C4' energy: -142.577
flat angles C4'-P-C4' energy: -153.137
flat angles P-C4'-P energy: -105.533
tors. eta vs tors. theta energy: -192.514
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: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2110.701664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.701664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.863952 (E_RNA)
where:
Base-Base interactions energy: -1438.351
where: short stacking energy: -618.448
Base-Backbone interact. energy: 1.885
local terms energy: -676.397999
where:
bonds (distance) C4'-P energy: -123.918
bonds (distance) P-C4' energy: -132.442
flat angles C4'-P-C4' energy: -163.589
flat angles P-C4'-P energy: -87.730
tors. eta vs tors. theta energy: -168.719
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: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2096.533590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.533590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.374942 (E_RNA)
where:
Base-Base interactions energy: -1439.653
where: short stacking energy: -597.816
Base-Backbone interact. energy: -1.222
local terms energy: -659.500166
where:
bonds (distance) C4'-P energy: -135.192
bonds (distance) P-C4' energy: -141.261
flat angles C4'-P-C4' energy: -147.950
flat angles P-C4'-P energy: -85.039
tors. eta vs tors. theta energy: -150.058
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: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1950.228128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.228128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.021793 (E_RNA)
where:
Base-Base interactions energy: -1362.074
where: short stacking energy: -587.091
Base-Backbone interact. energy: -0.458
local terms energy: -590.489767
where:
bonds (distance) C4'-P energy: -110.784
bonds (distance) P-C4' energy: -120.392
flat angles C4'-P-C4' energy: -126.986
flat angles P-C4'-P energy: -86.890
tors. eta vs tors. theta energy: -145.437
Dist. restrs. and SS energy: 2.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1842.350076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.350076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.135306 (E_RNA)
where:
Base-Base interactions energy: -1233.224
where: short stacking energy: -507.633
Base-Backbone interact. energy: -3.338
local terms energy: -610.572744
where:
bonds (distance) C4'-P energy: -138.156
bonds (distance) P-C4' energy: -121.026
flat angles C4'-P-C4' energy: -137.814
flat angles P-C4'-P energy: -77.966
tors. eta vs tors. theta energy: -135.612
Dist. restrs. and SS energy: 4.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2807.510592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.510592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.377813 (E_RNA)
where:
Base-Base interactions energy: -1950.726
where: short stacking energy: -812.259
Base-Backbone interact. energy: 1.606
local terms energy: -859.257710
where:
bonds (distance) C4'-P energy: -160.387
bonds (distance) P-C4' energy: -160.458
flat angles C4'-P-C4' energy: -195.249
flat angles P-C4'-P energy: -118.200
tors. eta vs tors. theta energy: -224.963
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2693.049533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.049533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.001328 (E_RNA)
where:
Base-Base interactions energy: -1855.367
where: short stacking energy: -782.468
Base-Backbone interact. energy: 2.259
local terms energy: -841.894260
where:
bonds (distance) C4'-P energy: -148.970
bonds (distance) P-C4' energy: -152.116
flat angles C4'-P-C4' energy: -184.867
flat angles P-C4'-P energy: -118.608
tors. eta vs tors. theta energy: -237.333
Dist. restrs. and SS energy: 1.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2570.179625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.179625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.241786 (E_RNA)
where:
Base-Base interactions energy: -1772.698
where: short stacking energy: -780.107
Base-Backbone interact. energy: -0.220
local terms energy: -799.323129
where:
bonds (distance) C4'-P energy: -129.500
bonds (distance) P-C4' energy: -168.272
flat angles C4'-P-C4' energy: -161.354
flat angles P-C4'-P energy: -116.353
tors. eta vs tors. theta energy: -223.844
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: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2476.106158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.106158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.817901 (E_RNA)
where:
Base-Base interactions energy: -1690.507
where: short stacking energy: -677.181
Base-Backbone interact. energy: -2.487
local terms energy: -784.823336
where:
bonds (distance) C4'-P energy: -143.188
bonds (distance) P-C4' energy: -164.827
flat angles C4'-P-C4' energy: -171.736
flat angles P-C4'-P energy: -114.432
tors. eta vs tors. theta energy: -190.640
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2388.427814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.427814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.602958 (E_RNA)
where:
Base-Base interactions energy: -1640.877
where: short stacking energy: -716.218
Base-Backbone interact. energy: -0.813
local terms energy: -748.912567
where:
bonds (distance) C4'-P energy: -136.256
bonds (distance) P-C4' energy: -132.702
flat angles C4'-P-C4' energy: -158.283
flat angles P-C4'-P energy: -112.866
tors. eta vs tors. theta energy: -208.806
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: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2229.230194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.230194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.349419 (E_RNA)
where:
Base-Base interactions energy: -1496.922
where: short stacking energy: -659.574
Base-Backbone interact. energy: 4.852
local terms energy: -740.279600
where:
bonds (distance) C4'-P energy: -124.088
bonds (distance) P-C4' energy: -165.915
flat angles C4'-P-C4' energy: -158.073
flat angles P-C4'-P energy: -99.656
tors. eta vs tors. theta energy: -192.549
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: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2073.831379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.831379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.717812 (E_RNA)
where:
Base-Base interactions energy: -1416.216
where: short stacking energy: -610.501
Base-Backbone interact. energy: 3.227
local terms energy: -662.728881
where:
bonds (distance) C4'-P energy: -136.766
bonds (distance) P-C4' energy: -131.292
flat angles C4'-P-C4' energy: -130.741
flat angles P-C4'-P energy: -107.169
tors. eta vs tors. theta energy: -156.761
Dist. restrs. and SS energy: 1.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2089.700797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.700797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.386223 (E_RNA)
where:
Base-Base interactions energy: -1451.837
where: short stacking energy: -583.841
Base-Backbone interact. energy: 3.303
local terms energy: -645.852236
where:
bonds (distance) C4'-P energy: -106.331
bonds (distance) P-C4' energy: -139.790
flat angles C4'-P-C4' energy: -160.582
flat angles P-C4'-P energy: -80.997
tors. eta vs tors. theta energy: -158.153
Dist. restrs. and SS energy: 4.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1899.176068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.176068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.403592 (E_RNA)
where:
Base-Base interactions energy: -1283.035
where: short stacking energy: -536.555
Base-Backbone interact. energy: -0.264
local terms energy: -621.105268
where:
bonds (distance) C4'-P energy: -136.668
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -125.810
flat angles P-C4'-P energy: -88.104
tors. eta vs tors. theta energy: -138.378
Dist. restrs. and SS energy: 5.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1834.996719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.996719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.569172 (E_RNA)
where:
Base-Base interactions energy: -1223.168
where: short stacking energy: -494.791
Base-Backbone interact. energy: 0.725
local terms energy: -618.125889
where:
bonds (distance) C4'-P energy: -128.459
bonds (distance) P-C4' energy: -130.499
flat angles C4'-P-C4' energy: -133.082
flat angles P-C4'-P energy: -100.296
tors. eta vs tors. theta energy: -125.789
Dist. restrs. and SS energy: 5.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2849.612482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.612482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.033206 (E_RNA)
where:
Base-Base interactions energy: -1982.988
where: short stacking energy: -802.909
Base-Backbone interact. energy: -5.301
local terms energy: -864.744218
where:
bonds (distance) C4'-P energy: -165.814
bonds (distance) P-C4' energy: -156.607
flat angles C4'-P-C4' energy: -194.409
flat angles P-C4'-P energy: -124.191
tors. eta vs tors. theta energy: -223.724
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2691.472139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.472139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.216734 (E_RNA)
where:
Base-Base interactions energy: -1891.609
where: short stacking energy: -794.984
Base-Backbone interact. energy: -1.532
local terms energy: -801.075257
where:
bonds (distance) C4'-P energy: -144.719
bonds (distance) P-C4' energy: -152.025
flat angles C4'-P-C4' energy: -178.720
flat angles P-C4'-P energy: -109.697
tors. eta vs tors. theta energy: -215.913
Dist. restrs. and SS energy: 2.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2569.656867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.656867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.715138 (E_RNA)
where:
Base-Base interactions energy: -1747.008
where: short stacking energy: -789.113
Base-Backbone interact. energy: -1.491
local terms energy: -823.215931
where:
bonds (distance) C4'-P energy: -150.150
bonds (distance) P-C4' energy: -153.107
flat angles C4'-P-C4' energy: -174.553
flat angles P-C4'-P energy: -119.537
tors. eta vs tors. theta energy: -225.868
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2435.001549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.001549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.182300 (E_RNA)
where:
Base-Base interactions energy: -1667.954
where: short stacking energy: -719.932
Base-Backbone interact. energy: 1.027
local terms energy: -769.255617
where:
bonds (distance) C4'-P energy: -148.395
bonds (distance) P-C4' energy: -156.830
flat angles C4'-P-C4' energy: -165.374
flat angles P-C4'-P energy: -88.131
tors. eta vs tors. theta energy: -210.526
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: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2379.285341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.285341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.428924 (E_RNA)
where:
Base-Base interactions energy: -1622.499
where: short stacking energy: -685.610
Base-Backbone interact. energy: 0.953
local terms energy: -758.882634
where:
bonds (distance) C4'-P energy: -135.398
bonds (distance) P-C4' energy: -127.010
flat angles C4'-P-C4' energy: -174.773
flat angles P-C4'-P energy: -120.189
tors. eta vs tors. theta energy: -201.513
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: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2206.812220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.812220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.595829 (E_RNA)
where:
Base-Base interactions energy: -1489.551
where: short stacking energy: -649.444
Base-Backbone interact. energy: 3.016
local terms energy: -722.061171
where:
bonds (distance) C4'-P energy: -122.475
bonds (distance) P-C4' energy: -158.607
flat angles C4'-P-C4' energy: -163.734
flat angles P-C4'-P energy: -96.468
tors. eta vs tors. theta energy: -180.777
Dist. restrs. and SS energy: 1.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2129.708105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.708105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.539920 (E_RNA)
where:
Base-Base interactions energy: -1433.743
where: short stacking energy: -633.477
Base-Backbone interact. energy: -1.975
local terms energy: -696.821470
where:
bonds (distance) C4'-P energy: -139.533
bonds (distance) P-C4' energy: -129.944
flat angles C4'-P-C4' energy: -162.536
flat angles P-C4'-P energy: -95.307
tors. eta vs tors. theta energy: -169.501
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: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1988.450740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.450740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.745508 (E_RNA)
where:
Base-Base interactions energy: -1341.923
where: short stacking energy: -564.757
Base-Backbone interact. energy: -3.056
local terms energy: -646.767337
where:
bonds (distance) C4'-P energy: -129.181
bonds (distance) P-C4' energy: -114.372
flat angles C4'-P-C4' energy: -155.746
flat angles P-C4'-P energy: -94.529
tors. eta vs tors. theta energy: -152.939
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1925.361666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.361666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.310673 (E_RNA)
where:
Base-Base interactions energy: -1277.034
where: short stacking energy: -541.860
Base-Backbone interact. energy: 0.707
local terms energy: -651.984391
where:
bonds (distance) C4'-P energy: -136.747
bonds (distance) P-C4' energy: -132.659
flat angles C4'-P-C4' energy: -164.946
flat angles P-C4'-P energy: -84.171
tors. eta vs tors. theta energy: -133.461
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: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1824.716008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.716008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.750248 (E_RNA)
where:
Base-Base interactions energy: -1258.838
where: short stacking energy: -533.298
Base-Backbone interact. energy: -2.275
local terms energy: -568.637428
where:
bonds (distance) C4'-P energy: -121.152
bonds (distance) P-C4' energy: -129.648
flat angles C4'-P-C4' energy: -125.942
flat angles P-C4'-P energy: -82.208
tors. eta vs tors. theta energy: -109.687
Dist. restrs. and SS energy: 5.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2841.216464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.216464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.621459 (E_RNA)
where:
Base-Base interactions energy: -1987.952
where: short stacking energy: -832.660
Base-Backbone interact. energy: 0.704
local terms energy: -856.373398
where:
bonds (distance) C4'-P energy: -145.769
bonds (distance) P-C4' energy: -178.653
flat angles C4'-P-C4' energy: -184.476
flat angles P-C4'-P energy: -113.925
tors. eta vs tors. theta energy: -233.550
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: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2699.819525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.819525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.522938 (E_RNA)
where:
Base-Base interactions energy: -1868.247
where: short stacking energy: -791.818
Base-Backbone interact. energy: -0.165
local terms energy: -834.111356
where:
bonds (distance) C4'-P energy: -163.647
bonds (distance) P-C4' energy: -145.366
flat angles C4'-P-C4' energy: -174.850
flat angles P-C4'-P energy: -126.618
tors. eta vs tors. theta energy: -223.630
Dist. restrs. and SS energy: 2.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2530.526907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.526907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.225658 (E_RNA)
where:
Base-Base interactions energy: -1731.224
where: short stacking energy: -768.391
Base-Backbone interact. energy: -0.053
local terms energy: -801.949173
where:
bonds (distance) C4'-P energy: -163.458
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -165.405
flat angles P-C4'-P energy: -109.505
tors. eta vs tors. theta energy: -214.095
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: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2460.319280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.319280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.219085 (E_RNA)
where:
Base-Base interactions energy: -1686.378
where: short stacking energy: -725.804
Base-Backbone interact. energy: -3.069
local terms energy: -773.772498
where:
bonds (distance) C4'-P energy: -139.369
bonds (distance) P-C4' energy: -154.377
flat angles C4'-P-C4' energy: -167.325
flat angles P-C4'-P energy: -116.444
tors. eta vs tors. theta energy: -196.258
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2365.047345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.047345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.813382 (E_RNA)
where:
Base-Base interactions energy: -1594.700
where: short stacking energy: -678.735
Base-Backbone interact. energy: 0.565
local terms energy: -772.678249
where:
bonds (distance) C4'-P energy: -136.143
bonds (distance) P-C4' energy: -154.774
flat angles C4'-P-C4' energy: -160.603
flat angles P-C4'-P energy: -119.705
tors. eta vs tors. theta energy: -201.453
Dist. restrs. and SS energy: 1.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2201.873294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.873294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.200176 (E_RNA)
where:
Base-Base interactions energy: -1490.701
where: short stacking energy: -655.358
Base-Backbone interact. energy: 8.569
local terms energy: -723.068502
where:
bonds (distance) C4'-P energy: -130.430
bonds (distance) P-C4' energy: -127.653
flat angles C4'-P-C4' energy: -159.114
flat angles P-C4'-P energy: -123.383
tors. eta vs tors. theta energy: -182.489
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: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2100.483088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.483088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.239747 (E_RNA)
where:
Base-Base interactions energy: -1397.600
where: short stacking energy: -610.180
Base-Backbone interact. energy: -1.783
local terms energy: -703.855938
where:
bonds (distance) C4'-P energy: -124.558
bonds (distance) P-C4' energy: -162.345
flat angles C4'-P-C4' energy: -152.230
flat angles P-C4'-P energy: -108.481
tors. eta vs tors. theta energy: -156.243
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: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2079.672133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.672133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.584261 (E_RNA)
where:
Base-Base interactions energy: -1424.438
where: short stacking energy: -595.815
Base-Backbone interact. energy: 0.856
local terms energy: -658.001729
where:
bonds (distance) C4'-P energy: -132.877
bonds (distance) P-C4' energy: -156.509
flat angles C4'-P-C4' energy: -147.915
flat angles P-C4'-P energy: -77.803
tors. eta vs tors. theta energy: -142.898
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: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1997.107311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.107311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.291848 (E_RNA)
where:
Base-Base interactions energy: -1313.769
where: short stacking energy: -564.512
Base-Backbone interact. energy: -3.160
local terms energy: -683.362750
where:
bonds (distance) C4'-P energy: -130.531
bonds (distance) P-C4' energy: -146.266
flat angles C4'-P-C4' energy: -143.880
flat angles P-C4'-P energy: -100.257
tors. eta vs tors. theta energy: -162.428
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1832.156705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.156705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.760431 (E_RNA)
where:
Base-Base interactions energy: -1220.241
where: short stacking energy: -509.294
Base-Backbone interact. energy: 2.209
local terms energy: -621.728118
where:
bonds (distance) C4'-P energy: -126.341
bonds (distance) P-C4' energy: -141.057
flat angles C4'-P-C4' energy: -142.701
flat angles P-C4'-P energy: -88.876
tors. eta vs tors. theta energy: -122.753
Dist. restrs. and SS energy: 7.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2778.458882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.458882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.978519 (E_RNA)
where:
Base-Base interactions energy: -1879.469
where: short stacking energy: -793.820
Base-Backbone interact. energy: -1.387
local terms energy: -899.122418
where:
bonds (distance) C4'-P energy: -165.073
bonds (distance) P-C4' energy: -169.390
flat angles C4'-P-C4' energy: -193.193
flat angles P-C4'-P energy: -137.368
tors. eta vs tors. theta energy: -234.098
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: 142
Temperature: 0.950000
Total energy: -2778.143434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.143434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.737724 (E_RNA)
where:
Base-Base interactions energy: -1925.060
where: short stacking energy: -787.965
Base-Backbone interact. energy: 2.642
local terms energy: -857.319045
where:
bonds (distance) C4'-P energy: -154.776
bonds (distance) P-C4' energy: -157.629
flat angles C4'-P-C4' energy: -184.996
flat angles P-C4'-P energy: -130.162
tors. eta vs tors. theta energy: -229.757
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: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2541.804234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.804234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.054650 (E_RNA)
where:
Base-Base interactions energy: -1730.631
where: short stacking energy: -738.368
Base-Backbone interact. energy: -0.243
local terms energy: -814.180824
where:
bonds (distance) C4'-P energy: -138.169
bonds (distance) P-C4' energy: -139.816
flat angles C4'-P-C4' energy: -189.239
flat angles P-C4'-P energy: -128.928
tors. eta vs tors. theta energy: -218.028
Dist. restrs. and SS energy: 3.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2498.823994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.823994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.229678 (E_RNA)
where:
Base-Base interactions energy: -1710.268
where: short stacking energy: -725.537
Base-Backbone interact. energy: -2.171
local terms energy: -787.790414
where:
bonds (distance) C4'-P energy: -149.948
bonds (distance) P-C4' energy: -161.249
flat angles C4'-P-C4' energy: -158.158
flat angles P-C4'-P energy: -102.668
tors. eta vs tors. theta energy: -215.768
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2411.367675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.367675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.259270 (E_RNA)
where:
Base-Base interactions energy: -1623.703
where: short stacking energy: -710.353
Base-Backbone interact. energy: -1.770
local terms energy: -789.785782
where:
bonds (distance) C4'-P energy: -131.073
bonds (distance) P-C4' energy: -157.457
flat angles C4'-P-C4' energy: -179.765
flat angles P-C4'-P energy: -113.065
tors. eta vs tors. theta energy: -208.426
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: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2244.105387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.105387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.026322 (E_RNA)
where:
Base-Base interactions energy: -1513.516
where: short stacking energy: -657.816
Base-Backbone interact. energy: 5.235
local terms energy: -738.745889
where:
bonds (distance) C4'-P energy: -133.643
bonds (distance) P-C4' energy: -142.723
flat angles C4'-P-C4' energy: -162.076
flat angles P-C4'-P energy: -115.070
tors. eta vs tors. theta energy: -185.234
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2122.148620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.148620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.922048 (E_RNA)
where:
Base-Base interactions energy: -1417.387
where: short stacking energy: -589.420
Base-Backbone interact. energy: 0.209
local terms energy: -706.744349
where:
bonds (distance) C4'-P energy: -143.585
bonds (distance) P-C4' energy: -140.075
flat angles C4'-P-C4' energy: -149.933
flat angles P-C4'-P energy: -105.368
tors. eta vs tors. theta energy: -167.783
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2038.594999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.594999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.787024 (E_RNA)
where:
Base-Base interactions energy: -1394.139
where: short stacking energy: -593.433
Base-Backbone interact. energy: -2.710
local terms energy: -643.938641
where:
bonds (distance) C4'-P energy: -132.721
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -132.797
flat angles P-C4'-P energy: -84.224
tors. eta vs tors. theta energy: -159.355
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: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1914.304166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.304166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.655493 (E_RNA)
where:
Base-Base interactions energy: -1318.753
where: short stacking energy: -557.433
Base-Backbone interact. energy: -2.519
local terms energy: -594.383710
where:
bonds (distance) C4'-P energy: -93.770
bonds (distance) P-C4' energy: -106.926
flat angles C4'-P-C4' energy: -151.647
flat angles P-C4'-P energy: -96.042
tors. eta vs tors. theta energy: -145.998
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: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1842.312864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.312864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.654470 (E_RNA)
where:
Base-Base interactions energy: -1224.843
where: short stacking energy: -510.353
Base-Backbone interact. energy: -1.462
local terms energy: -621.350142
where:
bonds (distance) C4'-P energy: -125.699
bonds (distance) P-C4' energy: -126.275
flat angles C4'-P-C4' energy: -149.515
flat angles P-C4'-P energy: -96.931
tors. eta vs tors. theta energy: -122.931
Dist. restrs. and SS energy: 5.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2760.133742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.133742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.476591 (E_RNA)
where:
Base-Base interactions energy: -1901.441
where: short stacking energy: -798.960
Base-Backbone interact. energy: -0.310
local terms energy: -859.725598
where:
bonds (distance) C4'-P energy: -151.659
bonds (distance) P-C4' energy: -165.186
flat angles C4'-P-C4' energy: -190.653
flat angles P-C4'-P energy: -117.585
tors. eta vs tors. theta energy: -234.642
Dist. restrs. and SS energy: 1.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2738.166933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.166933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.216606 (E_RNA)
where:
Base-Base interactions energy: -1920.568
where: short stacking energy: -769.158
Base-Backbone interact. energy: 2.284
local terms energy: -820.932441
where:
bonds (distance) C4'-P energy: -162.561
bonds (distance) P-C4' energy: -146.580
flat angles C4'-P-C4' energy: -168.924
flat angles P-C4'-P energy: -116.713
tors. eta vs tors. theta energy: -226.155
Dist. restrs. and SS energy: 1.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2557.808975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.808975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.278444 (E_RNA)
where:
Base-Base interactions energy: -1754.625
where: short stacking energy: -746.585
Base-Backbone interact. energy: 1.733
local terms energy: -805.386847
where:
bonds (distance) C4'-P energy: -148.035
bonds (distance) P-C4' energy: -157.648
flat angles C4'-P-C4' energy: -188.097
flat angles P-C4'-P energy: -100.464
tors. eta vs tors. theta energy: -211.143
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2470.914203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.914203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.684005 (E_RNA)
where:
Base-Base interactions energy: -1686.494
where: short stacking energy: -712.238
Base-Backbone interact. energy: 0.654
local terms energy: -786.844418
where:
bonds (distance) C4'-P energy: -147.357
bonds (distance) P-C4' energy: -154.006
flat angles C4'-P-C4' energy: -172.823
flat angles P-C4'-P energy: -106.075
tors. eta vs tors. theta energy: -206.584
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2368.108986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.108986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.908818 (E_RNA)
where:
Base-Base interactions energy: -1591.972
where: short stacking energy: -678.452
Base-Backbone interact. energy: -3.567
local terms energy: -775.370000
where:
bonds (distance) C4'-P energy: -151.306
bonds (distance) P-C4' energy: -154.261
flat angles C4'-P-C4' energy: -164.043
flat angles P-C4'-P energy: -109.645
tors. eta vs tors. theta energy: -196.115
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: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2217.677067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.677067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.446188 (E_RNA)
where:
Base-Base interactions energy: -1521.540
where: short stacking energy: -663.310
Base-Backbone interact. energy: 5.587
local terms energy: -704.492314
where:
bonds (distance) C4'-P energy: -144.920
bonds (distance) P-C4' energy: -122.120
flat angles C4'-P-C4' energy: -165.952
flat angles P-C4'-P energy: -84.944
tors. eta vs tors. theta energy: -186.556
Dist. restrs. and SS energy: 2.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2098.776711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.776711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.604651 (E_RNA)
where:
Base-Base interactions energy: -1413.862
where: short stacking energy: -630.643
Base-Backbone interact. energy: 6.800
local terms energy: -695.542139
where:
bonds (distance) C4'-P energy: -134.975
bonds (distance) P-C4' energy: -146.978
flat angles C4'-P-C4' energy: -159.002
flat angles P-C4'-P energy: -82.079
tors. eta vs tors. theta energy: -172.508
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2021.389041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.389041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.854714 (E_RNA)
where:
Base-Base interactions energy: -1392.662
where: short stacking energy: -569.516
Base-Backbone interact. energy: -1.513
local terms energy: -629.680005
where:
bonds (distance) C4'-P energy: -116.284
bonds (distance) P-C4' energy: -133.141
flat angles C4'-P-C4' energy: -140.075
flat angles P-C4'-P energy: -108.225
tors. eta vs tors. theta energy: -131.955
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1931.928911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.928911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.903616 (E_RNA)
where:
Base-Base interactions energy: -1308.508
where: short stacking energy: -572.642
Base-Backbone interact. energy: 0.519
local terms energy: -627.914574
where:
bonds (distance) C4'-P energy: -115.893
bonds (distance) P-C4' energy: -126.114
flat angles C4'-P-C4' energy: -137.953
flat angles P-C4'-P energy: -97.514
tors. eta vs tors. theta energy: -150.441
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1799.229029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.229029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.763545 (E_RNA)
where:
Base-Base interactions energy: -1244.358
where: short stacking energy: -503.511
Base-Backbone interact. energy: 0.388
local terms energy: -561.793608
where:
bonds (distance) C4'-P energy: -149.585
bonds (distance) P-C4' energy: -110.390
flat angles C4'-P-C4' energy: -118.407
flat angles P-C4'-P energy: -63.457
tors. eta vs tors. theta energy: -119.955
Dist. restrs. and SS energy: 6.535 (S_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: 144
Temperature: 0.900000
Total energy: -2777.206924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.206924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.630019 (E_RNA)
where:
Base-Base interactions energy: -1899.105
where: short stacking energy: -803.666
Base-Backbone interact. energy: -6.183
local terms energy: -873.342169
where:
bonds (distance) C4'-P energy: -154.837
bonds (distance) P-C4' energy: -170.915
flat angles C4'-P-C4' energy: -182.028
flat angles P-C4'-P energy: -130.406
tors. eta vs tors. theta energy: -235.157
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2778.121839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.121839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.766079 (E_RNA)
where:
Base-Base interactions energy: -1915.613
where: short stacking energy: -814.626
Base-Backbone interact. energy: -5.333
local terms energy: -859.820642
where:
bonds (distance) C4'-P energy: -162.173
bonds (distance) P-C4' energy: -163.962
flat angles C4'-P-C4' energy: -170.684
flat angles P-C4'-P energy: -121.628
tors. eta vs tors. theta energy: -241.373
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2566.529167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.529167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.900182 (E_RNA)
where:
Base-Base interactions energy: -1777.862
where: short stacking energy: -743.635
Base-Backbone interact. energy: -3.691
local terms energy: -786.347411
where:
bonds (distance) C4'-P energy: -141.034
bonds (distance) P-C4' energy: -149.493
flat angles C4'-P-C4' energy: -174.250
flat angles P-C4'-P energy: -110.382
tors. eta vs tors. theta energy: -211.190
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: 144
Temperature: 1.050000
Total energy: -2427.176342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.176342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.287268 (E_RNA)
where:
Base-Base interactions energy: -1666.293
where: short stacking energy: -705.389
Base-Backbone interact. energy: -4.248
local terms energy: -757.746117
where:
bonds (distance) C4'-P energy: -139.741
bonds (distance) P-C4' energy: -148.937
flat angles C4'-P-C4' energy: -155.884
flat angles P-C4'-P energy: -112.908
tors. eta vs tors. theta energy: -200.276
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: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2376.168402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.168402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.761186 (E_RNA)
where:
Base-Base interactions energy: -1616.467
where: short stacking energy: -697.717
Base-Backbone interact. energy: -1.813
local terms energy: -760.481056
where:
bonds (distance) C4'-P energy: -148.363
bonds (distance) P-C4' energy: -127.264
flat angles C4'-P-C4' energy: -164.628
flat angles P-C4'-P energy: -116.932
tors. eta vs tors. theta energy: -203.293
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: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2216.396411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.396411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.409655 (E_RNA)
where:
Base-Base interactions energy: -1492.199
where: short stacking energy: -638.361
Base-Backbone interact. energy: -1.430
local terms energy: -724.779923
where:
bonds (distance) C4'-P energy: -140.019
bonds (distance) P-C4' energy: -138.144
flat angles C4'-P-C4' energy: -144.249
flat angles P-C4'-P energy: -111.523
tors. eta vs tors. theta energy: -190.844
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: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2109.848604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.848604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.544583 (E_RNA)
where:
Base-Base interactions energy: -1441.494
where: short stacking energy: -619.222
Base-Backbone interact. energy: -1.202
local terms energy: -669.848446
where:
bonds (distance) C4'-P energy: -131.415
bonds (distance) P-C4' energy: -144.828
flat angles C4'-P-C4' energy: -143.339
flat angles P-C4'-P energy: -94.879
tors. eta vs tors. theta energy: -155.387
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -2003.562866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.562866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.070874 (E_RNA)
where:
Base-Base interactions energy: -1325.150
where: short stacking energy: -561.199
Base-Backbone interact. energy: 4.109
local terms energy: -685.030186
where:
bonds (distance) C4'-P energy: -133.715
bonds (distance) P-C4' energy: -155.097
flat angles C4'-P-C4' energy: -158.039
flat angles P-C4'-P energy: -96.443
tors. eta vs tors. theta energy: -141.736
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1823.526425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.526425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.616633 (E_RNA)
where:
Base-Base interactions energy: -1234.803
where: short stacking energy: -517.541
Base-Backbone interact. energy: -1.718
local terms energy: -596.095090
where:
bonds (distance) C4'-P energy: -127.672
bonds (distance) P-C4' energy: -130.087
flat angles C4'-P-C4' energy: -124.317
flat angles P-C4'-P energy: -86.826
tors. eta vs tors. theta energy: -127.193
Dist. restrs. and SS energy: 9.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1866.295385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.295385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.602123 (E_RNA)
where:
Base-Base interactions energy: -1260.879
where: short stacking energy: -498.340
Base-Backbone interact. energy: 0.272
local terms energy: -608.995415
where:
bonds (distance) C4'-P energy: -131.880
bonds (distance) P-C4' energy: -134.161
flat angles C4'-P-C4' energy: -133.121
flat angles P-C4'-P energy: -86.366
tors. eta vs tors. theta energy: -123.467
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: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2781.682198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.682198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.480123 (E_RNA)
where:
Base-Base interactions energy: -1917.134
where: short stacking energy: -821.062
Base-Backbone interact. energy: 1.406
local terms energy: -867.752039
where:
bonds (distance) C4'-P energy: -148.910
bonds (distance) P-C4' energy: -170.258
flat angles C4'-P-C4' energy: -181.596
flat angles P-C4'-P energy: -129.614
tors. eta vs tors. theta energy: -237.374
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: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2764.630118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.630118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.769115 (E_RNA)
where:
Base-Base interactions energy: -1919.043
where: short stacking energy: -774.444
Base-Backbone interact. energy: -3.369
local terms energy: -843.356302
where:
bonds (distance) C4'-P energy: -159.957
bonds (distance) P-C4' energy: -161.726
flat angles C4'-P-C4' energy: -179.376
flat angles P-C4'-P energy: -121.112
tors. eta vs tors. theta energy: -221.186
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: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2584.437291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.437291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.820271 (E_RNA)
where:
Base-Base interactions energy: -1790.125
where: short stacking energy: -767.481
Base-Backbone interact. energy: -0.909
local terms energy: -795.785677
where:
bonds (distance) C4'-P energy: -155.804
bonds (distance) P-C4' energy: -151.613
flat angles C4'-P-C4' energy: -168.713
flat angles P-C4'-P energy: -108.252
tors. eta vs tors. theta energy: -211.404
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: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2418.775718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.775718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.620004 (E_RNA)
where:
Base-Base interactions energy: -1658.736
where: short stacking energy: -709.940
Base-Backbone interact. energy: 4.621
local terms energy: -766.505171
where:
bonds (distance) C4'-P energy: -137.258
bonds (distance) P-C4' energy: -149.648
flat angles C4'-P-C4' energy: -171.239
flat angles P-C4'-P energy: -113.347
tors. eta vs tors. theta energy: -195.014
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: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2327.603707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.603707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.576840 (E_RNA)
where:
Base-Base interactions energy: -1563.893
where: short stacking energy: -670.706
Base-Backbone interact. energy: -0.456
local terms energy: -765.227827
where:
bonds (distance) C4'-P energy: -144.028
bonds (distance) P-C4' energy: -142.114
flat angles C4'-P-C4' energy: -177.246
flat angles P-C4'-P energy: -87.916
tors. eta vs tors. theta energy: -213.925
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: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2230.147495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.147495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.121598 (E_RNA)
where:
Base-Base interactions energy: -1466.647
where: short stacking energy: -649.859
Base-Backbone interact. energy: -2.846
local terms energy: -763.628034
where:
bonds (distance) C4'-P energy: -152.009
bonds (distance) P-C4' energy: -150.417
flat angles C4'-P-C4' energy: -163.217
flat angles P-C4'-P energy: -93.729
tors. eta vs tors. theta energy: -204.256
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2126.950433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.950433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.270118 (E_RNA)
where:
Base-Base interactions energy: -1411.163
where: short stacking energy: -601.740
Base-Backbone interact. energy: -2.871
local terms energy: -717.236752
where:
bonds (distance) C4'-P energy: -132.429
bonds (distance) P-C4' energy: -144.642
flat angles C4'-P-C4' energy: -162.152
flat angles P-C4'-P energy: -110.121
tors. eta vs tors. theta energy: -167.893
Dist. restrs. and SS energy: 4.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2089.160077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.160077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.463708 (E_RNA)
where:
Base-Base interactions energy: -1402.207
where: short stacking energy: -605.621
Base-Backbone interact. energy: -3.618
local terms energy: -687.638901
where:
bonds (distance) C4'-P energy: -137.200
bonds (distance) P-C4' energy: -128.024
flat angles C4'-P-C4' energy: -160.778
flat angles P-C4'-P energy: -98.041
tors. eta vs tors. theta energy: -163.596
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: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1892.492390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.492390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.151252 (E_RNA)
where:
Base-Base interactions energy: -1285.189
where: short stacking energy: -530.768
Base-Backbone interact. energy: 2.857
local terms energy: -615.818927
where:
bonds (distance) C4'-P energy: -130.881
bonds (distance) P-C4' energy: -127.406
flat angles C4'-P-C4' energy: -128.999
flat angles P-C4'-P energy: -96.017
tors. eta vs tors. theta energy: -132.516
Dist. restrs. and SS energy: 5.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1839.209124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.209124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.429736 (E_RNA)
where:
Base-Base interactions energy: -1291.959
where: short stacking energy: -529.853
Base-Backbone interact. energy: -0.180
local terms energy: -551.290862
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -115.507
flat angles C4'-P-C4' energy: -111.716
flat angles P-C4'-P energy: -88.253
tors. eta vs tors. theta energy: -139.984
Dist. restrs. and SS energy: 4.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2816.844924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.844924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.952325 (E_RNA)
where:
Base-Base interactions energy: -1972.280
where: short stacking energy: -819.110
Base-Backbone interact. energy: -0.086
local terms energy: -846.586760
where:
bonds (distance) C4'-P energy: -156.033
bonds (distance) P-C4' energy: -156.313
flat angles C4'-P-C4' energy: -187.378
flat angles P-C4'-P energy: -118.696
tors. eta vs tors. theta energy: -228.166
Dist. restrs. and SS energy: 2.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2686.195756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.195756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.549082 (E_RNA)
where:
Base-Base interactions energy: -1845.945
where: short stacking energy: -780.851
Base-Backbone interact. energy: -4.594
local terms energy: -838.010097
where:
bonds (distance) C4'-P energy: -149.862
bonds (distance) P-C4' energy: -155.236
flat angles C4'-P-C4' energy: -190.532
flat angles P-C4'-P energy: -110.479
tors. eta vs tors. theta energy: -231.901
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2574.364040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.364040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.593701 (E_RNA)
where:
Base-Base interactions energy: -1770.046
where: short stacking energy: -740.473
Base-Backbone interact. energy: 7.057
local terms energy: -812.604658
where:
bonds (distance) C4'-P energy: -160.288
bonds (distance) P-C4' energy: -147.603
flat angles C4'-P-C4' energy: -177.703
flat angles P-C4'-P energy: -115.660
tors. eta vs tors. theta energy: -211.350
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2435.516943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.516943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.580840 (E_RNA)
where:
Base-Base interactions energy: -1642.088
where: short stacking energy: -689.900
Base-Backbone interact. energy: 0.198
local terms energy: -794.691053
where:
bonds (distance) C4'-P energy: -140.531
bonds (distance) P-C4' energy: -165.988
flat angles C4'-P-C4' energy: -159.252
flat angles P-C4'-P energy: -115.565
tors. eta vs tors. theta energy: -213.355
Dist. restrs. and SS energy: 1.064 (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: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2362.615284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.615284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.641369 (E_RNA)
where:
Base-Base interactions energy: -1589.880
where: short stacking energy: -678.001
Base-Backbone interact. energy: -2.339
local terms energy: -773.422908
where:
bonds (distance) C4'-P energy: -149.190
bonds (distance) P-C4' energy: -143.963
flat angles C4'-P-C4' energy: -172.610
flat angles P-C4'-P energy: -103.179
tors. eta vs tors. theta energy: -204.481
Dist. restrs. and SS energy: 3.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2250.144105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.144105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.582935 (E_RNA)
where:
Base-Base interactions energy: -1531.526
where: short stacking energy: -640.976
Base-Backbone interact. energy: 0.144
local terms energy: -721.200214
where:
bonds (distance) C4'-P energy: -127.293
bonds (distance) P-C4' energy: -151.431
flat angles C4'-P-C4' energy: -155.202
flat angles P-C4'-P energy: -96.976
tors. eta vs tors. theta energy: -190.298
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2141.982793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.982793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.478275 (E_RNA)
where:
Base-Base interactions energy: -1443.788
where: short stacking energy: -637.591
Base-Backbone interact. energy: 1.007
local terms energy: -701.697238
where:
bonds (distance) C4'-P energy: -144.562
bonds (distance) P-C4' energy: -127.515
flat angles C4'-P-C4' energy: -166.093
flat angles P-C4'-P energy: -85.019
tors. eta vs tors. theta energy: -178.508
Dist. restrs. and SS energy: 2.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2038.847772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.847772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.767120 (E_RNA)
where:
Base-Base interactions energy: -1381.700
where: short stacking energy: -582.469
Base-Backbone interact. energy: -3.171
local terms energy: -655.896768
where:
bonds (distance) C4'-P energy: -126.142
bonds (distance) P-C4' energy: -140.704
flat angles C4'-P-C4' energy: -142.699
flat angles P-C4'-P energy: -97.906
tors. eta vs tors. theta energy: -148.445
Dist. restrs. and SS energy: 1.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1946.089255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.089255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.469150 (E_RNA)
where:
Base-Base interactions energy: -1305.125
where: short stacking energy: -551.920
Base-Backbone interact. energy: -0.744
local terms energy: -645.600716
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -128.490
flat angles C4'-P-C4' energy: -155.805
flat angles P-C4'-P energy: -89.367
tors. eta vs tors. theta energy: -138.633
Dist. restrs. and SS energy: 5.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1886.870434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.870434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.675079 (E_RNA)
where:
Base-Base interactions energy: -1298.208
where: short stacking energy: -561.890
Base-Backbone interact. energy: -0.652
local terms energy: -591.815986
where:
bonds (distance) C4'-P energy: -119.645
bonds (distance) P-C4' energy: -131.156
flat angles C4'-P-C4' energy: -123.485
flat angles P-C4'-P energy: -87.909
tors. eta vs tors. theta energy: -129.621
Dist. restrs. and SS energy: 3.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2847.398954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.398954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.197898 (E_RNA)
where:
Base-Base interactions energy: -1960.748
where: short stacking energy: -832.876
Base-Backbone interact. energy: -1.680
local terms energy: -886.770126
where:
bonds (distance) C4'-P energy: -171.031
bonds (distance) P-C4' energy: -169.808
flat angles C4'-P-C4' energy: -187.015
flat angles P-C4'-P energy: -127.675
tors. eta vs tors. theta energy: -231.242
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: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2678.557547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.557547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.142482 (E_RNA)
where:
Base-Base interactions energy: -1856.625
where: short stacking energy: -784.959
Base-Backbone interact. energy: -2.737
local terms energy: -820.779987
where:
bonds (distance) C4'-P energy: -155.739
bonds (distance) P-C4' energy: -148.390
flat angles C4'-P-C4' energy: -181.773
flat angles P-C4'-P energy: -113.700
tors. eta vs tors. theta energy: -221.178
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2569.415565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.415565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.891307 (E_RNA)
where:
Base-Base interactions energy: -1752.891
where: short stacking energy: -716.098
Base-Backbone interact. energy: 5.325
local terms energy: -823.325228
where:
bonds (distance) C4'-P energy: -151.722
bonds (distance) P-C4' energy: -156.726
flat angles C4'-P-C4' energy: -174.196
flat angles P-C4'-P energy: -118.908
tors. eta vs tors. theta energy: -221.773
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: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2456.056129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.056129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.147871 (E_RNA)
where:
Base-Base interactions energy: -1660.028
where: short stacking energy: -726.090
Base-Backbone interact. energy: -3.501
local terms energy: -794.619658
where:
bonds (distance) C4'-P energy: -142.285
bonds (distance) P-C4' energy: -148.200
flat angles C4'-P-C4' energy: -178.735
flat angles P-C4'-P energy: -113.922
tors. eta vs tors. theta energy: -211.477
Dist. restrs. and SS energy: 2.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2346.338613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.338613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.951629 (E_RNA)
where:
Base-Base interactions energy: -1586.813
where: short stacking energy: -706.047
Base-Backbone interact. energy: -2.291
local terms energy: -758.847029
where:
bonds (distance) C4'-P energy: -134.331
bonds (distance) P-C4' energy: -147.518
flat angles C4'-P-C4' energy: -178.776
flat angles P-C4'-P energy: -105.710
tors. eta vs tors. theta energy: -192.511
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: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2227.958954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.958954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.334389 (E_RNA)
where:
Base-Base interactions energy: -1507.383
where: short stacking energy: -673.603
Base-Backbone interact. energy: 6.816
local terms energy: -729.767935
where:
bonds (distance) C4'-P energy: -138.811
bonds (distance) P-C4' energy: -151.303
flat angles C4'-P-C4' energy: -156.675
flat angles P-C4'-P energy: -96.602
tors. eta vs tors. theta energy: -186.376
Dist. restrs. and SS energy: 2.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2124.639269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.639269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.263455 (E_RNA)
where:
Base-Base interactions energy: -1413.286
where: short stacking energy: -597.072
Base-Backbone interact. energy: 1.129
local terms energy: -714.106347
where:
bonds (distance) C4'-P energy: -141.185
bonds (distance) P-C4' energy: -132.460
flat angles C4'-P-C4' energy: -164.957
flat angles P-C4'-P energy: -107.050
tors. eta vs tors. theta energy: -168.455
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2008.378468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.378468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.037659 (E_RNA)
where:
Base-Base interactions energy: -1361.679
where: short stacking energy: -561.199
Base-Backbone interact. energy: 6.523
local terms energy: -655.882387
where:
bonds (distance) C4'-P energy: -135.093
bonds (distance) P-C4' energy: -145.119
flat angles C4'-P-C4' energy: -138.233
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -148.870
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1947.906680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.906680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.444969 (E_RNA)
where:
Base-Base interactions energy: -1324.042
where: short stacking energy: -570.865
Base-Backbone interact. energy: -4.271
local terms energy: -623.131333
where:
bonds (distance) C4'-P energy: -124.828
bonds (distance) P-C4' energy: -124.842
flat angles C4'-P-C4' energy: -142.849
flat angles P-C4'-P energy: -90.791
tors. eta vs tors. theta energy: -139.822
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1845.092087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.092087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.520762 (E_RNA)
where:
Base-Base interactions energy: -1214.249
where: short stacking energy: -497.270
Base-Backbone interact. energy: -1.162
local terms energy: -631.110314
where:
bonds (distance) C4'-P energy: -127.435
bonds (distance) P-C4' energy: -146.310
flat angles C4'-P-C4' energy: -151.299
flat angles P-C4'-P energy: -80.306
tors. eta vs tors. theta energy: -125.760
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2851.206990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.206990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.345032 (E_RNA)
where:
Base-Base interactions energy: -1980.686
where: short stacking energy: -829.829
Base-Backbone interact. energy: 0.948
local terms energy: -873.606602
where:
bonds (distance) C4'-P energy: -158.879
bonds (distance) P-C4' energy: -165.097
flat angles C4'-P-C4' energy: -186.663
flat angles P-C4'-P energy: -138.980
tors. eta vs tors. theta energy: -223.988
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: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2696.391013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.391013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.794750 (E_RNA)
where:
Base-Base interactions energy: -1845.520
where: short stacking energy: -808.792
Base-Backbone interact. energy: -2.661
local terms energy: -849.612912
where:
bonds (distance) C4'-P energy: -146.410
bonds (distance) P-C4' energy: -155.143
flat angles C4'-P-C4' energy: -189.901
flat angles P-C4'-P energy: -123.580
tors. eta vs tors. theta energy: -234.580
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2545.408029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.408029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.617934 (E_RNA)
where:
Base-Base interactions energy: -1763.478
where: short stacking energy: -747.033
Base-Backbone interact. energy: 4.823
local terms energy: -787.962911
where:
bonds (distance) C4'-P energy: -134.612
bonds (distance) P-C4' energy: -152.140
flat angles C4'-P-C4' energy: -178.887
flat angles P-C4'-P energy: -112.570
tors. eta vs tors. theta energy: -209.754
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: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2427.381196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.381196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.754987 (E_RNA)
where:
Base-Base interactions energy: -1658.946
where: short stacking energy: -712.934
Base-Backbone interact. energy: -2.654
local terms energy: -768.154346
where:
bonds (distance) C4'-P energy: -154.638
bonds (distance) P-C4' energy: -150.288
flat angles C4'-P-C4' energy: -170.623
flat angles P-C4'-P energy: -95.972
tors. eta vs tors. theta energy: -196.633
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: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2364.199836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.199836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.704350 (E_RNA)
where:
Base-Base interactions energy: -1617.833
where: short stacking energy: -704.158
Base-Backbone interact. energy: 0.047
local terms energy: -747.918273
where:
bonds (distance) C4'-P energy: -138.934
bonds (distance) P-C4' energy: -146.350
flat angles C4'-P-C4' energy: -152.104
flat angles P-C4'-P energy: -109.116
tors. eta vs tors. theta energy: -201.414
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: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2187.563957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.563957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.122196 (E_RNA)
where:
Base-Base interactions energy: -1486.171
where: short stacking energy: -659.578
Base-Backbone interact. energy: -2.799
local terms energy: -700.153057
where:
bonds (distance) C4'-P energy: -144.171
bonds (distance) P-C4' energy: -132.489
flat angles C4'-P-C4' energy: -154.967
flat angles P-C4'-P energy: -83.987
tors. eta vs tors. theta energy: -184.539
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2171.938628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.938628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.300767 (E_RNA)
where:
Base-Base interactions energy: -1492.681
where: short stacking energy: -658.441
Base-Backbone interact. energy: -1.830
local terms energy: -679.789465
where:
bonds (distance) C4'-P energy: -131.477
bonds (distance) P-C4' energy: -120.045
flat angles C4'-P-C4' energy: -146.970
flat angles P-C4'-P energy: -88.153
tors. eta vs tors. theta energy: -193.144
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2035.569791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.569791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.213894 (E_RNA)
where:
Base-Base interactions energy: -1368.516
where: short stacking energy: -581.753
Base-Backbone interact. energy: -2.408
local terms energy: -667.289366
where:
bonds (distance) C4'-P energy: -138.026
bonds (distance) P-C4' energy: -139.021
flat angles C4'-P-C4' energy: -148.188
flat angles P-C4'-P energy: -80.555
tors. eta vs tors. theta energy: -161.500
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: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1987.222623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.222623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.708594 (E_RNA)
where:
Base-Base interactions energy: -1353.110
where: short stacking energy: -568.265
Base-Backbone interact. energy: 2.624
local terms energy: -639.222860
where:
bonds (distance) C4'-P energy: -139.220
bonds (distance) P-C4' energy: -101.483
flat angles C4'-P-C4' energy: -141.801
flat angles P-C4'-P energy: -103.068
tors. eta vs tors. theta energy: -153.651
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1895.196142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.196142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.000606 (E_RNA)
where:
Base-Base interactions energy: -1288.831
where: short stacking energy: -544.272
Base-Backbone interact. energy: 4.706
local terms energy: -613.876134
where:
bonds (distance) C4'-P energy: -123.240
bonds (distance) P-C4' energy: -105.348
flat angles C4'-P-C4' energy: -151.110
flat angles P-C4'-P energy: -83.444
tors. eta vs tors. theta energy: -150.734
Dist. restrs. and SS energy: 2.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2821.550444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.550444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.669354 (E_RNA)
where:
Base-Base interactions energy: -1931.509
where: short stacking energy: -778.319
Base-Backbone interact. energy: -3.376
local terms energy: -887.784460
where:
bonds (distance) C4'-P energy: -166.375
bonds (distance) P-C4' energy: -180.433
flat angles C4'-P-C4' energy: -182.583
flat angles P-C4'-P energy: -131.868
tors. eta vs tors. theta energy: -226.526
Dist. restrs. and SS energy: 1.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2682.461352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.461352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.098143 (E_RNA)
where:
Base-Base interactions energy: -1848.373
where: short stacking energy: -794.043
Base-Backbone interact. energy: -4.229
local terms energy: -831.495828
where:
bonds (distance) C4'-P energy: -144.412
bonds (distance) P-C4' energy: -162.012
flat angles C4'-P-C4' energy: -179.177
flat angles P-C4'-P energy: -123.239
tors. eta vs tors. theta energy: -222.655
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: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2556.713628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.713628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.933195 (E_RNA)
where:
Base-Base interactions energy: -1790.945
where: short stacking energy: -758.861
Base-Backbone interact. energy: 3.176
local terms energy: -771.164591
where:
bonds (distance) C4'-P energy: -148.922
bonds (distance) P-C4' energy: -145.857
flat angles C4'-P-C4' energy: -156.015
flat angles P-C4'-P energy: -113.831
tors. eta vs tors. theta energy: -206.540
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2423.490254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.490254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.004305 (E_RNA)
where:
Base-Base interactions energy: -1694.633
where: short stacking energy: -740.500
Base-Backbone interact. energy: 2.916
local terms energy: -733.287645
where:
bonds (distance) C4'-P energy: -137.030
bonds (distance) P-C4' energy: -134.598
flat angles C4'-P-C4' energy: -150.055
flat angles P-C4'-P energy: -118.182
tors. eta vs tors. theta energy: -193.423
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2373.696230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.696230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.481909 (E_RNA)
where:
Base-Base interactions energy: -1654.437
where: short stacking energy: -692.111
Base-Backbone interact. energy: -2.504
local terms energy: -718.540827
where:
bonds (distance) C4'-P energy: -142.023
bonds (distance) P-C4' energy: -139.087
flat angles C4'-P-C4' energy: -154.281
flat angles P-C4'-P energy: -92.911
tors. eta vs tors. theta energy: -190.239
Dist. restrs. and SS energy: 1.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2177.698014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.698014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.582874 (E_RNA)
where:
Base-Base interactions energy: -1448.475
where: short stacking energy: -649.110
Base-Backbone interact. energy: 4.110
local terms energy: -737.218236
where:
bonds (distance) C4'-P energy: -147.469
bonds (distance) P-C4' energy: -137.404
flat angles C4'-P-C4' energy: -181.216
flat angles P-C4'-P energy: -96.247
tors. eta vs tors. theta energy: -174.882
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2137.921260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.921260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.915262 (E_RNA)
where:
Base-Base interactions energy: -1412.370
where: short stacking energy: -609.496
Base-Backbone interact. energy: 0.981
local terms energy: -729.527016
where:
bonds (distance) C4'-P energy: -150.579
bonds (distance) P-C4' energy: -131.004
flat angles C4'-P-C4' energy: -156.312
flat angles P-C4'-P energy: -124.036
tors. eta vs tors. theta energy: -167.597
Dist. restrs. and SS energy: 2.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2051.511300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.511300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.703181 (E_RNA)
where:
Base-Base interactions energy: -1397.049
where: short stacking energy: -608.073
Base-Backbone interact. energy: -3.477
local terms energy: -654.177899
where:
bonds (distance) C4'-P energy: -113.868
bonds (distance) P-C4' energy: -137.490
flat angles C4'-P-C4' energy: -139.685
flat angles P-C4'-P energy: -100.819
tors. eta vs tors. theta energy: -162.315
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1934.929669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.929669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.739501 (E_RNA)
where:
Base-Base interactions energy: -1307.747
where: short stacking energy: -564.996
Base-Backbone interact. energy: 3.157
local terms energy: -633.149468
where:
bonds (distance) C4'-P energy: -128.983
bonds (distance) P-C4' energy: -139.051
flat angles C4'-P-C4' energy: -132.759
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -143.339
Dist. restrs. and SS energy: 2.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1904.596219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.596219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.335791 (E_RNA)
where:
Base-Base interactions energy: -1264.339
where: short stacking energy: -531.812
Base-Backbone interact. energy: -5.872
local terms energy: -637.124807
where:
bonds (distance) C4'-P energy: -129.093
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -142.651
flat angles P-C4'-P energy: -98.315
tors. eta vs tors. theta energy: -139.054
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: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2833.098379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.098379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.988938 (E_RNA)
where:
Base-Base interactions energy: -1962.399
where: short stacking energy: -784.987
Base-Backbone interact. energy: -3.127
local terms energy: -868.462820
where:
bonds (distance) C4'-P energy: -158.867
bonds (distance) P-C4' energy: -175.425
flat angles C4'-P-C4' energy: -174.348
flat angles P-C4'-P energy: -142.728
tors. eta vs tors. theta energy: -217.094
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2645.110969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.110969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.187737 (E_RNA)
where:
Base-Base interactions energy: -1818.218
where: short stacking energy: -761.359
Base-Backbone interact. energy: 2.121
local terms energy: -831.089968
where:
bonds (distance) C4'-P energy: -146.522
bonds (distance) P-C4' energy: -156.625
flat angles C4'-P-C4' energy: -195.941
flat angles P-C4'-P energy: -116.721
tors. eta vs tors. theta energy: -215.281
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2565.308237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.308237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.121716 (E_RNA)
where:
Base-Base interactions energy: -1780.905
where: short stacking energy: -762.939
Base-Backbone interact. energy: 0.786
local terms energy: -787.002730
where:
bonds (distance) C4'-P energy: -142.248
bonds (distance) P-C4' energy: -155.832
flat angles C4'-P-C4' energy: -170.598
flat angles P-C4'-P energy: -104.149
tors. eta vs tors. theta energy: -214.176
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: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2414.858880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.858880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.610023 (E_RNA)
where:
Base-Base interactions energy: -1632.188
where: short stacking energy: -734.941
Base-Backbone interact. energy: -3.964
local terms energy: -782.458089
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -171.776
flat angles C4'-P-C4' energy: -174.148
flat angles P-C4'-P energy: -105.947
tors. eta vs tors. theta energy: -200.143
Dist. restrs. and SS energy: 3.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2371.029513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.029513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.242046 (E_RNA)
where:
Base-Base interactions energy: -1578.057
where: short stacking energy: -691.531
Base-Backbone interact. energy: -2.820
local terms energy: -792.365086
where:
bonds (distance) C4'-P energy: -152.064
bonds (distance) P-C4' energy: -145.171
flat angles C4'-P-C4' energy: -171.440
flat angles P-C4'-P energy: -119.755
tors. eta vs tors. theta energy: -203.935
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: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2175.831388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.831388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.556180 (E_RNA)
where:
Base-Base interactions energy: -1464.725
where: short stacking energy: -649.966
Base-Backbone interact. energy: -2.693
local terms energy: -710.138107
where:
bonds (distance) C4'-P energy: -121.723
bonds (distance) P-C4' energy: -145.517
flat angles C4'-P-C4' energy: -161.658
flat angles P-C4'-P energy: -101.469
tors. eta vs tors. theta energy: -179.770
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: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2141.000128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.000128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.754959 (E_RNA)
where:
Base-Base interactions energy: -1431.342
where: short stacking energy: -623.758
Base-Backbone interact. energy: -1.999
local terms energy: -710.414025
where:
bonds (distance) C4'-P energy: -135.075
bonds (distance) P-C4' energy: -133.498
flat angles C4'-P-C4' energy: -162.421
flat angles P-C4'-P energy: -97.126
tors. eta vs tors. theta energy: -182.294
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: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2002.141270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.141270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.356461 (E_RNA)
where:
Base-Base interactions energy: -1339.914
where: short stacking energy: -552.814
Base-Backbone interact. energy: -2.059
local terms energy: -662.383316
where:
bonds (distance) C4'-P energy: -144.019
bonds (distance) P-C4' energy: -131.233
flat angles C4'-P-C4' energy: -147.700
flat angles P-C4'-P energy: -98.206
tors. eta vs tors. theta energy: -141.226
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: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1957.491132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.491132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.195075 (E_RNA)
where:
Base-Base interactions energy: -1348.105
where: short stacking energy: -546.369
Base-Backbone interact. energy: 6.111
local terms energy: -618.201226
where:
bonds (distance) C4'-P energy: -110.304
bonds (distance) P-C4' energy: -139.051
flat angles C4'-P-C4' energy: -119.838
flat angles P-C4'-P energy: -105.639
tors. eta vs tors. theta energy: -143.370
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: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1908.641227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.641227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.540755 (E_RNA)
where:
Base-Base interactions energy: -1317.988
where: short stacking energy: -531.678
Base-Backbone interact. energy: 1.450
local terms energy: -594.002744
where:
bonds (distance) C4'-P energy: -131.644
bonds (distance) P-C4' energy: -117.772
flat angles C4'-P-C4' energy: -129.453
flat angles P-C4'-P energy: -88.922
tors. eta vs tors. theta energy: -126.212
Dist. restrs. and SS energy: 1.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2848.709872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.709872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.967298 (E_RNA)
where:
Base-Base interactions energy: -1978.064
where: short stacking energy: -811.534
Base-Backbone interact. energy: -3.983
local terms energy: -867.920021
where:
bonds (distance) C4'-P energy: -155.648
bonds (distance) P-C4' energy: -173.179
flat angles C4'-P-C4' energy: -185.221
flat angles P-C4'-P energy: -123.439
tors. eta vs tors. theta energy: -230.433
Dist. restrs. and SS energy: 1.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2708.106903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.106903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.419322 (E_RNA)
where:
Base-Base interactions energy: -1870.442
where: short stacking energy: -811.392
Base-Backbone interact. energy: 3.017
local terms energy: -842.993680
where:
bonds (distance) C4'-P energy: -152.363
bonds (distance) P-C4' energy: -161.054
flat angles C4'-P-C4' energy: -181.403
flat angles P-C4'-P energy: -118.518
tors. eta vs tors. theta energy: -229.656
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: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2573.625467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.625467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.359042 (E_RNA)
where:
Base-Base interactions energy: -1778.569
where: short stacking energy: -773.722
Base-Backbone interact. energy: 3.083
local terms energy: -799.873079
where:
bonds (distance) C4'-P energy: -154.460
bonds (distance) P-C4' energy: -135.819
flat angles C4'-P-C4' energy: -188.755
flat angles P-C4'-P energy: -97.856
tors. eta vs tors. theta energy: -222.983
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: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2516.060508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.060508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.567436 (E_RNA)
where:
Base-Base interactions energy: -1713.205
where: short stacking energy: -746.244
Base-Backbone interact. energy: -1.988
local terms energy: -802.374629
where:
bonds (distance) C4'-P energy: -146.227
bonds (distance) P-C4' energy: -164.425
flat angles C4'-P-C4' energy: -167.417
flat angles P-C4'-P energy: -106.698
tors. eta vs tors. theta energy: -217.608
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2319.691754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.691754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.385077 (E_RNA)
where:
Base-Base interactions energy: -1556.049
where: short stacking energy: -664.169
Base-Backbone interact. energy: -3.611
local terms energy: -761.725029
where:
bonds (distance) C4'-P energy: -144.569
bonds (distance) P-C4' energy: -147.900
flat angles C4'-P-C4' energy: -161.406
flat angles P-C4'-P energy: -113.655
tors. eta vs tors. theta energy: -194.195
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: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2257.325282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.325282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.870041 (E_RNA)
where:
Base-Base interactions energy: -1550.747
where: short stacking energy: -699.949
Base-Backbone interact. energy: 2.454
local terms energy: -711.577316
where:
bonds (distance) C4'-P energy: -138.382
bonds (distance) P-C4' energy: -127.699
flat angles C4'-P-C4' energy: -161.543
flat angles P-C4'-P energy: -88.275
tors. eta vs tors. theta energy: -195.679
Dist. restrs. and SS energy: 2.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2182.771489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.771489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.973769 (E_RNA)
where:
Base-Base interactions energy: -1463.932
where: short stacking energy: -644.545
Base-Backbone interact. energy: -3.211
local terms energy: -717.831205
where:
bonds (distance) C4'-P energy: -126.476
bonds (distance) P-C4' energy: -160.107
flat angles C4'-P-C4' energy: -162.029
flat angles P-C4'-P energy: -84.587
tors. eta vs tors. theta energy: -184.633
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: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -2070.385152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.385152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.967166 (E_RNA)
where:
Base-Base interactions energy: -1413.639
where: short stacking energy: -627.007
Base-Backbone interact. energy: 2.274
local terms energy: -661.602554
where:
bonds (distance) C4'-P energy: -113.260
bonds (distance) P-C4' energy: -147.474
flat angles C4'-P-C4' energy: -142.464
flat angles P-C4'-P energy: -96.660
tors. eta vs tors. theta energy: -161.744
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: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1942.163091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.163091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.482574 (E_RNA)
where:
Base-Base interactions energy: -1345.144
where: short stacking energy: -535.296
Base-Backbone interact. energy: 3.786
local terms energy: -603.124199
where:
bonds (distance) C4'-P energy: -122.087
bonds (distance) P-C4' energy: -134.204
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -92.527
tors. eta vs tors. theta energy: -135.523
Dist. restrs. and SS energy: 2.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1835.314567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.314567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.574706 (E_RNA)
where:
Base-Base interactions energy: -1257.966
where: short stacking energy: -544.920
Base-Backbone interact. energy: 3.224
local terms energy: -583.832791
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -138.822
flat angles P-C4'-P energy: -85.928
tors. eta vs tors. theta energy: -146.020
Dist. restrs. and SS energy: 3.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2838.315310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.315310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.491162 (E_RNA)
where:
Base-Base interactions energy: -1960.777
where: short stacking energy: -817.021
Base-Backbone interact. energy: -4.472
local terms energy: -874.241726
where:
bonds (distance) C4'-P energy: -154.741
bonds (distance) P-C4' energy: -167.532
flat angles C4'-P-C4' energy: -192.689
flat angles P-C4'-P energy: -126.601
tors. eta vs tors. theta energy: -232.678
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: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2671.345415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.345415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.266330 (E_RNA)
where:
Base-Base interactions energy: -1823.707
where: short stacking energy: -791.645
Base-Backbone interact. energy: -1.805
local terms energy: -846.754660
where:
bonds (distance) C4'-P energy: -146.337
bonds (distance) P-C4' energy: -161.619
flat angles C4'-P-C4' energy: -176.336
flat angles P-C4'-P energy: -125.470
tors. eta vs tors. theta energy: -236.992
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2604.247763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.247763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.992869 (E_RNA)
where:
Base-Base interactions energy: -1803.481
where: short stacking energy: -749.143
Base-Backbone interact. energy: -5.400
local terms energy: -797.111101
where:
bonds (distance) C4'-P energy: -151.652
bonds (distance) P-C4' energy: -153.141
flat angles C4'-P-C4' energy: -157.815
flat angles P-C4'-P energy: -115.631
tors. eta vs tors. theta energy: -218.872
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2524.082812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.082812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.034875 (E_RNA)
where:
Base-Base interactions energy: -1749.862
where: short stacking energy: -737.341
Base-Backbone interact. energy: -3.284
local terms energy: -773.888828
where:
bonds (distance) C4'-P energy: -139.653
bonds (distance) P-C4' energy: -150.348
flat angles C4'-P-C4' energy: -163.177
flat angles P-C4'-P energy: -103.904
tors. eta vs tors. theta energy: -216.807
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2342.219195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.219195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.313997 (E_RNA)
where:
Base-Base interactions energy: -1612.849
where: short stacking energy: -710.487
Base-Backbone interact. energy: 1.688
local terms energy: -733.153361
where:
bonds (distance) C4'-P energy: -137.551
bonds (distance) P-C4' energy: -151.706
flat angles C4'-P-C4' energy: -153.882
flat angles P-C4'-P energy: -96.354
tors. eta vs tors. theta energy: -193.660
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2262.977784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.977784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.983937 (E_RNA)
where:
Base-Base interactions energy: -1527.369
where: short stacking energy: -682.755
Base-Backbone interact. energy: -1.104
local terms energy: -736.510978
where:
bonds (distance) C4'-P energy: -120.383
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -155.980
flat angles P-C4'-P energy: -122.559
tors. eta vs tors. theta energy: -196.914
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: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2093.414315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.414315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.880519 (E_RNA)
where:
Base-Base interactions energy: -1434.312
where: short stacking energy: -595.033
Base-Backbone interact. energy: -2.508
local terms energy: -662.059776
where:
bonds (distance) C4'-P energy: -137.622
bonds (distance) P-C4' energy: -134.754
flat angles C4'-P-C4' energy: -148.675
flat angles P-C4'-P energy: -95.971
tors. eta vs tors. theta energy: -145.037
Dist. restrs. and SS energy: 5.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2080.700030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.700030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.684364 (E_RNA)
where:
Base-Base interactions energy: -1420.116
where: short stacking energy: -598.765
Base-Backbone interact. energy: -2.897
local terms energy: -661.670956
where:
bonds (distance) C4'-P energy: -132.214
bonds (distance) P-C4' energy: -111.782
flat angles C4'-P-C4' energy: -158.565
flat angles P-C4'-P energy: -88.533
tors. eta vs tors. theta energy: -170.578
Dist. restrs. and SS energy: 3.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1937.828808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.828808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.294256 (E_RNA)
where:
Base-Base interactions energy: -1298.805
where: short stacking energy: -541.573
Base-Backbone interact. energy: 8.562
local terms energy: -650.051784
where:
bonds (distance) C4'-P energy: -119.917
bonds (distance) P-C4' energy: -134.882
flat angles C4'-P-C4' energy: -157.877
flat angles P-C4'-P energy: -97.570
tors. eta vs tors. theta energy: -139.806
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1833.440384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.440384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.043796 (E_RNA)
where:
Base-Base interactions energy: -1268.357
where: short stacking energy: -529.052
Base-Backbone interact. energy: 3.594
local terms energy: -571.280917
where:
bonds (distance) C4'-P energy: -107.250
bonds (distance) P-C4' energy: -114.752
flat angles C4'-P-C4' energy: -144.603
flat angles P-C4'-P energy: -79.300
tors. eta vs tors. theta energy: -125.377
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: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2840.715789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.715789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.130102 (E_RNA)
where:
Base-Base interactions energy: -1965.132
where: short stacking energy: -838.067
Base-Backbone interact. energy: -4.875
local terms energy: -872.123752
where:
bonds (distance) C4'-P energy: -180.755
bonds (distance) P-C4' energy: -157.899
flat angles C4'-P-C4' energy: -184.319
flat angles P-C4'-P energy: -123.554
tors. eta vs tors. theta energy: -225.596
Dist. restrs. and SS energy: 1.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2717.931524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.931524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.486610 (E_RNA)
where:
Base-Base interactions energy: -1878.444
where: short stacking energy: -786.224
Base-Backbone interact. energy: -1.817
local terms energy: -839.226239
where:
bonds (distance) C4'-P energy: -170.096
bonds (distance) P-C4' energy: -144.626
flat angles C4'-P-C4' energy: -181.287
flat angles P-C4'-P energy: -116.409
tors. eta vs tors. theta energy: -226.809
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2589.585864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.585864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.340493 (E_RNA)
where:
Base-Base interactions energy: -1752.130
where: short stacking energy: -758.550
Base-Backbone interact. energy: -1.791
local terms energy: -837.419456
where:
bonds (distance) C4'-P energy: -155.888
bonds (distance) P-C4' energy: -168.485
flat angles C4'-P-C4' energy: -178.703
flat angles P-C4'-P energy: -117.290
tors. eta vs tors. theta energy: -217.054
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: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2496.698364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.698364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.526834 (E_RNA)
where:
Base-Base interactions energy: -1699.694
where: short stacking energy: -733.168
Base-Backbone interact. energy: 0.711
local terms energy: -800.543496
where:
bonds (distance) C4'-P energy: -164.459
bonds (distance) P-C4' energy: -161.641
flat angles C4'-P-C4' energy: -168.471
flat angles P-C4'-P energy: -100.417
tors. eta vs tors. theta energy: -205.556
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: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2325.105338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.105338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.264370 (E_RNA)
where:
Base-Base interactions energy: -1553.849
where: short stacking energy: -650.911
Base-Backbone interact. energy: -5.047
local terms energy: -768.368061
where:
bonds (distance) C4'-P energy: -150.297
bonds (distance) P-C4' energy: -159.896
flat angles C4'-P-C4' energy: -151.332
flat angles P-C4'-P energy: -123.101
tors. eta vs tors. theta energy: -183.741
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2241.185987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.185987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.934921 (E_RNA)
where:
Base-Base interactions energy: -1502.384
where: short stacking energy: -662.669
Base-Backbone interact. energy: 1.098
local terms energy: -741.649213
where:
bonds (distance) C4'-P energy: -147.985
bonds (distance) P-C4' energy: -153.886
flat angles C4'-P-C4' energy: -153.939
flat angles P-C4'-P energy: -92.002
tors. eta vs tors. theta energy: -193.837
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: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2111.952031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.952031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.105342 (E_RNA)
where:
Base-Base interactions energy: -1428.896
where: short stacking energy: -594.072
Base-Backbone interact. energy: -2.715
local terms energy: -683.494173
where:
bonds (distance) C4'-P energy: -137.043
bonds (distance) P-C4' energy: -139.439
flat angles C4'-P-C4' energy: -158.614
flat angles P-C4'-P energy: -98.636
tors. eta vs tors. theta energy: -149.763
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1990.389522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.389522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.734819 (E_RNA)
where:
Base-Base interactions energy: -1330.029
where: short stacking energy: -565.467
Base-Backbone interact. energy: 0.363
local terms energy: -663.068285
where:
bonds (distance) C4'-P energy: -136.096
bonds (distance) P-C4' energy: -129.687
flat angles C4'-P-C4' energy: -156.971
flat angles P-C4'-P energy: -96.628
tors. eta vs tors. theta energy: -143.686
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: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1967.413967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.413967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.240203 (E_RNA)
where:
Base-Base interactions energy: -1306.134
where: short stacking energy: -573.558
Base-Backbone interact. energy: -2.078
local terms energy: -662.027610
where:
bonds (distance) C4'-P energy: -142.138
bonds (distance) P-C4' energy: -144.385
flat angles C4'-P-C4' energy: -157.560
flat angles P-C4'-P energy: -70.709
tors. eta vs tors. theta energy: -147.236
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: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1870.359327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.359327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.219291 (E_RNA)
where:
Base-Base interactions energy: -1279.131
where: short stacking energy: -543.352
Base-Backbone interact. energy: 2.757
local terms energy: -596.845972
where:
bonds (distance) C4'-P energy: -125.884
bonds (distance) P-C4' energy: -130.459
flat angles C4'-P-C4' energy: -139.181
flat angles P-C4'-P energy: -62.131
tors. eta vs tors. theta energy: -139.191
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: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2857.274054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.274054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.536472 (E_RNA)
where:
Base-Base interactions energy: -1985.555
where: short stacking energy: -834.258
Base-Backbone interact. energy: 2.317
local terms energy: -875.297993
where:
bonds (distance) C4'-P energy: -154.872
bonds (distance) P-C4' energy: -158.994
flat angles C4'-P-C4' energy: -182.300
flat angles P-C4'-P energy: -142.266
tors. eta vs tors. theta energy: -236.865
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2662.708305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.708305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.404768 (E_RNA)
where:
Base-Base interactions energy: -1836.794
where: short stacking energy: -762.197
Base-Backbone interact. energy: -3.420
local terms energy: -824.190614
where:
bonds (distance) C4'-P energy: -160.375
bonds (distance) P-C4' energy: -162.573
flat angles C4'-P-C4' energy: -168.458
flat angles P-C4'-P energy: -109.730
tors. eta vs tors. theta energy: -223.055
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: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2576.705065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.705065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.816611 (E_RNA)
where:
Base-Base interactions energy: -1763.373
where: short stacking energy: -749.997
Base-Backbone interact. energy: -2.636
local terms energy: -812.807798
where:
bonds (distance) C4'-P energy: -138.046
bonds (distance) P-C4' energy: -156.799
flat angles C4'-P-C4' energy: -176.285
flat angles P-C4'-P energy: -122.248
tors. eta vs tors. theta energy: -219.430
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2481.363753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.363753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.338215 (E_RNA)
where:
Base-Base interactions energy: -1687.215
where: short stacking energy: -739.724
Base-Backbone interact. energy: 4.443
local terms energy: -800.566606
where:
bonds (distance) C4'-P energy: -152.759
bonds (distance) P-C4' energy: -157.713
flat angles C4'-P-C4' energy: -165.898
flat angles P-C4'-P energy: -111.648
tors. eta vs tors. theta energy: -212.549
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: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2385.506027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.506027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.025496 (E_RNA)
where:
Base-Base interactions energy: -1597.907
where: short stacking energy: -709.523
Base-Backbone interact. energy: -0.893
local terms energy: -788.225285
where:
bonds (distance) C4'-P energy: -148.253
bonds (distance) P-C4' energy: -160.222
flat angles C4'-P-C4' energy: -164.313
flat angles P-C4'-P energy: -107.132
tors. eta vs tors. theta energy: -208.306
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: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2210.381185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.381185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.813990 (E_RNA)
where:
Base-Base interactions energy: -1506.872
where: short stacking energy: -648.790
Base-Backbone interact. energy: 3.734
local terms energy: -709.676410
where:
bonds (distance) C4'-P energy: -153.134
bonds (distance) P-C4' energy: -131.387
flat angles C4'-P-C4' energy: -158.026
flat angles P-C4'-P energy: -89.533
tors. eta vs tors. theta energy: -177.596
Dist. restrs. and SS energy: 2.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2093.258089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.258089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.519504 (E_RNA)
where:
Base-Base interactions energy: -1423.121
where: short stacking energy: -622.530
Base-Backbone interact. energy: 1.616
local terms energy: -674.013837
where:
bonds (distance) C4'-P energy: -136.899
bonds (distance) P-C4' energy: -116.794
flat angles C4'-P-C4' energy: -155.991
flat angles P-C4'-P energy: -106.453
tors. eta vs tors. theta energy: -157.877
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: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2030.925154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.925154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.088510 (E_RNA)
where:
Base-Base interactions energy: -1351.912
where: short stacking energy: -546.812
Base-Backbone interact. energy: -0.823
local terms energy: -682.353621
where:
bonds (distance) C4'-P energy: -121.864
bonds (distance) P-C4' energy: -136.331
flat angles C4'-P-C4' energy: -156.330
flat angles P-C4'-P energy: -108.061
tors. eta vs tors. theta energy: -159.767
Dist. restrs. and SS energy: 4.163 (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: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1937.148459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.148459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.287350 (E_RNA)
where:
Base-Base interactions energy: -1307.878
where: short stacking energy: -537.575
Base-Backbone interact. energy: -1.690
local terms energy: -629.719157
where:
bonds (distance) C4'-P energy: -125.061
bonds (distance) P-C4' energy: -122.470
flat angles C4'-P-C4' energy: -149.403
flat angles P-C4'-P energy: -86.879
tors. eta vs tors. theta energy: -145.906
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1929.840370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.840370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.434735 (E_RNA)
where:
Base-Base interactions energy: -1331.545
where: short stacking energy: -555.122
Base-Backbone interact. energy: 0.672
local terms energy: -601.562044
where:
bonds (distance) C4'-P energy: -114.600
bonds (distance) P-C4' energy: -130.351
flat angles C4'-P-C4' energy: -112.817
flat angles P-C4'-P energy: -99.290
tors. eta vs tors. theta energy: -144.505
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2849.856584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.522741 (E_RNA)
where:
Base-Base interactions energy: -2002.802
where: short stacking energy: -833.181
Base-Backbone interact. energy: -1.997
local terms energy: -846.724428
where:
bonds (distance) C4'-P energy: -164.615
bonds (distance) P-C4' energy: -156.443
flat angles C4'-P-C4' energy: -177.223
flat angles P-C4'-P energy: -120.004
tors. eta vs tors. theta energy: -228.440
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: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2672.987445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.987445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.263774 (E_RNA)
where:
Base-Base interactions energy: -1835.215
where: short stacking energy: -767.127
Base-Backbone interact. energy: 0.424
local terms energy: -839.473250
where:
bonds (distance) C4'-P energy: -164.692
bonds (distance) P-C4' energy: -157.373
flat angles C4'-P-C4' energy: -184.233
flat angles P-C4'-P energy: -101.703
tors. eta vs tors. theta energy: -231.472
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2615.527068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.527068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.999019 (E_RNA)
where:
Base-Base interactions energy: -1794.798
where: short stacking energy: -764.008
Base-Backbone interact. energy: -3.651
local terms energy: -818.550058
where:
bonds (distance) C4'-P energy: -151.880
bonds (distance) P-C4' energy: -156.665
flat angles C4'-P-C4' energy: -182.278
flat angles P-C4'-P energy: -111.277
tors. eta vs tors. theta energy: -216.450
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: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2475.601160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.601160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.956734 (E_RNA)
where:
Base-Base interactions energy: -1713.519
where: short stacking energy: -704.494
Base-Backbone interact. energy: -5.230
local terms energy: -759.206928
where:
bonds (distance) C4'-P energy: -146.912
bonds (distance) P-C4' energy: -150.809
flat angles C4'-P-C4' energy: -156.626
flat angles P-C4'-P energy: -102.994
tors. eta vs tors. theta energy: -201.866
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: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2383.838520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.838520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.907938 (E_RNA)
where:
Base-Base interactions energy: -1595.431
where: short stacking energy: -669.636
Base-Backbone interact. energy: -1.367
local terms energy: -789.109649
where:
bonds (distance) C4'-P energy: -136.391
bonds (distance) P-C4' energy: -147.134
flat angles C4'-P-C4' energy: -183.972
flat angles P-C4'-P energy: -108.894
tors. eta vs tors. theta energy: -212.718
Dist. restrs. and SS energy: 2.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2200.891591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.891591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.212119 (E_RNA)
where:
Base-Base interactions energy: -1470.309
where: short stacking energy: -630.774
Base-Backbone interact. energy: 4.085
local terms energy: -736.988094
where:
bonds (distance) C4'-P energy: -144.908
bonds (distance) P-C4' energy: -147.655
flat angles C4'-P-C4' energy: -145.768
flat angles P-C4'-P energy: -108.902
tors. eta vs tors. theta energy: -189.754
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2109.389450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.389450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.294193 (E_RNA)
where:
Base-Base interactions energy: -1411.774
where: short stacking energy: -618.753
Base-Backbone interact. energy: -5.103
local terms energy: -694.416618
where:
bonds (distance) C4'-P energy: -141.255
bonds (distance) P-C4' energy: -125.951
flat angles C4'-P-C4' energy: -153.104
flat angles P-C4'-P energy: -104.124
tors. eta vs tors. theta energy: -169.982
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: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2072.193396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.193396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.078282 (E_RNA)
where:
Base-Base interactions energy: -1401.062
where: short stacking energy: -608.831
Base-Backbone interact. energy: 0.373
local terms energy: -674.389972
where:
bonds (distance) C4'-P energy: -122.260
bonds (distance) P-C4' energy: -143.602
flat angles C4'-P-C4' energy: -159.473
flat angles P-C4'-P energy: -88.809
tors. eta vs tors. theta energy: -160.246
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1945.435568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.435568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.602209 (E_RNA)
where:
Base-Base interactions energy: -1307.568
where: short stacking energy: -526.962
Base-Backbone interact. energy: 6.971
local terms energy: -647.004542
where:
bonds (distance) C4'-P energy: -119.005
bonds (distance) P-C4' energy: -142.466
flat angles C4'-P-C4' energy: -142.074
flat angles P-C4'-P energy: -119.256
tors. eta vs tors. theta energy: -124.203
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: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1866.265106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.265106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.513666 (E_RNA)
where:
Base-Base interactions energy: -1252.643
where: short stacking energy: -489.224
Base-Backbone interact. energy: 7.610
local terms energy: -624.480504
where:
bonds (distance) C4'-P energy: -140.217
bonds (distance) P-C4' energy: -138.688
flat angles C4'-P-C4' energy: -129.152
flat angles P-C4'-P energy: -104.984
tors. eta vs tors. theta energy: -111.440
Dist. restrs. and SS energy: 3.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2885.378980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.378980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.652175 (E_RNA)
where:
Base-Base interactions energy: -2013.757
where: short stacking energy: -825.688
Base-Backbone interact. energy: -0.249
local terms energy: -872.645481
where:
bonds (distance) C4'-P energy: -160.990
bonds (distance) P-C4' energy: -159.195
flat angles C4'-P-C4' energy: -199.886
flat angles P-C4'-P energy: -124.974
tors. eta vs tors. theta energy: -227.602
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2688.857826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.857826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.141724 (E_RNA)
where:
Base-Base interactions energy: -1844.549
where: short stacking energy: -774.800
Base-Backbone interact. energy: -4.702
local terms energy: -841.891141
where:
bonds (distance) C4'-P energy: -150.877
bonds (distance) P-C4' energy: -167.009
flat angles C4'-P-C4' energy: -170.190
flat angles P-C4'-P energy: -134.142
tors. eta vs tors. theta energy: -219.673
Dist. restrs. and SS energy: 2.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2589.266655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.266655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.655447 (E_RNA)
where:
Base-Base interactions energy: -1795.502
where: short stacking energy: -784.713
Base-Backbone interact. energy: -1.536
local terms energy: -793.616950
where:
bonds (distance) C4'-P energy: -150.420
bonds (distance) P-C4' energy: -134.535
flat angles C4'-P-C4' energy: -168.843
flat angles P-C4'-P energy: -119.715
tors. eta vs tors. theta energy: -220.105
Dist. restrs. and SS energy: 1.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2441.919832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.919832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.421106 (E_RNA)
where:
Base-Base interactions energy: -1702.647
where: short stacking energy: -710.608
Base-Backbone interact. energy: -0.099
local terms energy: -740.674960
where:
bonds (distance) C4'-P energy: -153.074
bonds (distance) P-C4' energy: -140.922
flat angles C4'-P-C4' energy: -155.834
flat angles P-C4'-P energy: -98.973
tors. eta vs tors. theta energy: -191.871
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2401.629662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.629662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.229484 (E_RNA)
where:
Base-Base interactions energy: -1614.132
where: short stacking energy: -710.981
Base-Backbone interact. energy: -0.012
local terms energy: -790.085539
where:
bonds (distance) C4'-P energy: -136.938
bonds (distance) P-C4' energy: -149.868
flat angles C4'-P-C4' energy: -169.157
flat angles P-C4'-P energy: -114.054
tors. eta vs tors. theta energy: -220.069
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2223.808737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.808737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.267762 (E_RNA)
where:
Base-Base interactions energy: -1516.293
where: short stacking energy: -672.934
Base-Backbone interact. energy: 5.279
local terms energy: -715.254040
where:
bonds (distance) C4'-P energy: -152.398
bonds (distance) P-C4' energy: -123.831
flat angles C4'-P-C4' energy: -164.386
flat angles P-C4'-P energy: -98.947
tors. eta vs tors. theta energy: -175.692
Dist. restrs. and SS energy: 2.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2094.184344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.184344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.598065 (E_RNA)
where:
Base-Base interactions energy: -1401.887
where: short stacking energy: -604.848
Base-Backbone interact. energy: -1.494
local terms energy: -693.217243
where:
bonds (distance) C4'-P energy: -129.402
bonds (distance) P-C4' energy: -138.057
flat angles C4'-P-C4' energy: -163.364
flat angles P-C4'-P energy: -97.796
tors. eta vs tors. theta energy: -164.598
Dist. restrs. and SS energy: 2.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -2012.245142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.245142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.076597 (E_RNA)
where:
Base-Base interactions energy: -1319.495
where: short stacking energy: -548.935
Base-Backbone interact. energy: -1.791
local terms energy: -693.790344
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -140.197
flat angles C4'-P-C4' energy: -146.231
flat angles P-C4'-P energy: -119.053
tors. eta vs tors. theta energy: -152.414
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -2005.625201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.625201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.225642 (E_RNA)
where:
Base-Base interactions energy: -1385.621
where: short stacking energy: -591.614
Base-Backbone interact. energy: -1.822
local terms energy: -619.782790
where:
bonds (distance) C4'-P energy: -112.973
bonds (distance) P-C4' energy: -121.622
flat angles C4'-P-C4' energy: -157.126
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -146.762
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: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1851.930675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.930675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.442140 (E_RNA)
where:
Base-Base interactions energy: -1264.038
where: short stacking energy: -545.381
Base-Backbone interact. energy: -1.472
local terms energy: -589.932054
where:
bonds (distance) C4'-P energy: -109.890
bonds (distance) P-C4' energy: -142.429
flat angles C4'-P-C4' energy: -128.503
flat angles P-C4'-P energy: -73.101
tors. eta vs tors. theta energy: -136.009
Dist. restrs. and SS energy: 3.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2839.996938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.996938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.488504 (E_RNA)
where:
Base-Base interactions energy: -1935.659
where: short stacking energy: -813.478
Base-Backbone interact. energy: -2.212
local terms energy: -903.617906
where:
bonds (distance) C4'-P energy: -182.281
bonds (distance) P-C4' energy: -164.811
flat angles C4'-P-C4' energy: -186.566
flat angles P-C4'-P energy: -123.251
tors. eta vs tors. theta energy: -246.709
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: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2744.028081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.028081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.473345 (E_RNA)
where:
Base-Base interactions energy: -1888.681
where: short stacking energy: -781.690
Base-Backbone interact. energy: 1.571
local terms energy: -858.363973
where:
bonds (distance) C4'-P energy: -163.953
bonds (distance) P-C4' energy: -154.855
flat angles C4'-P-C4' energy: -184.486
flat angles P-C4'-P energy: -127.310
tors. eta vs tors. theta energy: -227.760
Dist. restrs. and SS energy: 1.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2610.328090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.328090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.695379 (E_RNA)
where:
Base-Base interactions energy: -1790.789
where: short stacking energy: -754.269
Base-Backbone interact. energy: -0.998
local terms energy: -821.908959
where:
bonds (distance) C4'-P energy: -165.217
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -184.011
flat angles P-C4'-P energy: -99.385
tors. eta vs tors. theta energy: -220.048
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2439.324515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.324515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.219872 (E_RNA)
where:
Base-Base interactions energy: -1684.315
where: short stacking energy: -700.916
Base-Backbone interact. energy: -3.243
local terms energy: -753.662148
where:
bonds (distance) C4'-P energy: -135.725
bonds (distance) P-C4' energy: -146.392
flat angles C4'-P-C4' energy: -166.407
flat angles P-C4'-P energy: -107.116
tors. eta vs tors. theta energy: -198.023
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: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2357.156894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.156894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.128660 (E_RNA)
where:
Base-Base interactions energy: -1587.338
where: short stacking energy: -700.918
Base-Backbone interact. energy: 1.588
local terms energy: -773.378629
where:
bonds (distance) C4'-P energy: -155.009
bonds (distance) P-C4' energy: -154.962
flat angles C4'-P-C4' energy: -156.833
flat angles P-C4'-P energy: -108.827
tors. eta vs tors. theta energy: -197.748
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: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2258.373503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.373503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.362722 (E_RNA)
where:
Base-Base interactions energy: -1533.896
where: short stacking energy: -643.857
Base-Backbone interact. energy: -1.050
local terms energy: -725.417575
where:
bonds (distance) C4'-P energy: -143.843
bonds (distance) P-C4' energy: -136.470
flat angles C4'-P-C4' energy: -169.000
flat angles P-C4'-P energy: -92.961
tors. eta vs tors. theta energy: -183.143
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2122.244935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.244935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.897453 (E_RNA)
where:
Base-Base interactions energy: -1433.866
where: short stacking energy: -631.524
Base-Backbone interact. energy: 4.727
local terms energy: -694.758490
where:
bonds (distance) C4'-P energy: -127.961
bonds (distance) P-C4' energy: -142.452
flat angles C4'-P-C4' energy: -159.502
flat angles P-C4'-P energy: -101.788
tors. eta vs tors. theta energy: -163.055
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2021.156533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.156533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.647515 (E_RNA)
where:
Base-Base interactions energy: -1342.198
where: short stacking energy: -582.692
Base-Backbone interact. energy: -0.598
local terms energy: -680.851202
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -125.448
flat angles C4'-P-C4' energy: -148.292
flat angles P-C4'-P energy: -117.831
tors. eta vs tors. theta energy: -154.370
Dist. restrs. and SS energy: 2.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1939.383053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.383053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.001739 (E_RNA)
where:
Base-Base interactions energy: -1335.494
where: short stacking energy: -554.427
Base-Backbone interact. energy: -1.668
local terms energy: -603.839467
where:
bonds (distance) C4'-P energy: -105.111
bonds (distance) P-C4' energy: -129.967
flat angles C4'-P-C4' energy: -150.243
flat angles P-C4'-P energy: -88.789
tors. eta vs tors. theta energy: -129.729
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: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1863.258866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.258866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.200663 (E_RNA)
where:
Base-Base interactions energy: -1282.732
where: short stacking energy: -524.606
Base-Backbone interact. energy: 0.056
local terms energy: -592.524466
where:
bonds (distance) C4'-P energy: -134.328
bonds (distance) P-C4' energy: -127.104
flat angles C4'-P-C4' energy: -124.440
flat angles P-C4'-P energy: -73.862
tors. eta vs tors. theta energy: -132.792
Dist. restrs. and SS energy: 11.942 (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: 158
Temperature: 0.900000
Total energy: -2903.089370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.089370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.036418 (E_RNA)
where:
Base-Base interactions energy: -2012.627
where: short stacking energy: -860.781
Base-Backbone interact. energy: -4.491
local terms energy: -886.918840
where:
bonds (distance) C4'-P energy: -154.110
bonds (distance) P-C4' energy: -165.471
flat angles C4'-P-C4' energy: -195.917
flat angles P-C4'-P energy: -124.513
tors. eta vs tors. theta energy: -246.908
Dist. restrs. and SS energy: 0.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2742.752218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.752218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.985931 (E_RNA)
where:
Base-Base interactions energy: -1899.430
where: short stacking energy: -801.044
Base-Backbone interact. energy: -2.695
local terms energy: -841.861192
where:
bonds (distance) C4'-P energy: -155.306
bonds (distance) P-C4' energy: -146.789
flat angles C4'-P-C4' energy: -180.553
flat angles P-C4'-P energy: -125.155
tors. eta vs tors. theta energy: -234.058
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: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2595.318003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.318003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.061286 (E_RNA)
where:
Base-Base interactions energy: -1773.929
where: short stacking energy: -752.580
Base-Backbone interact. energy: -3.362
local terms energy: -819.769925
where:
bonds (distance) C4'-P energy: -159.465
bonds (distance) P-C4' energy: -159.393
flat angles C4'-P-C4' energy: -157.407
flat angles P-C4'-P energy: -112.686
tors. eta vs tors. theta energy: -230.819
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2465.673811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.673811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.962454 (E_RNA)
where:
Base-Base interactions energy: -1701.976
where: short stacking energy: -707.780
Base-Backbone interact. energy: -1.248
local terms energy: -763.737945
where:
bonds (distance) C4'-P energy: -136.203
bonds (distance) P-C4' energy: -145.004
flat angles C4'-P-C4' energy: -162.518
flat angles P-C4'-P energy: -110.525
tors. eta vs tors. theta energy: -209.488
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2320.121225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.121225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.794478 (E_RNA)
where:
Base-Base interactions energy: -1542.354
where: short stacking energy: -679.425
Base-Backbone interact. energy: -1.817
local terms energy: -777.622996
where:
bonds (distance) C4'-P energy: -145.828
bonds (distance) P-C4' energy: -140.672
flat angles C4'-P-C4' energy: -171.698
flat angles P-C4'-P energy: -111.189
tors. eta vs tors. theta energy: -208.236
Dist. restrs. and SS energy: 1.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2210.759817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.759817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.263499 (E_RNA)
where:
Base-Base interactions energy: -1499.646
where: short stacking energy: -685.524
Base-Backbone interact. energy: 0.965
local terms energy: -714.583442
where:
bonds (distance) C4'-P energy: -142.519
bonds (distance) P-C4' energy: -134.633
flat angles C4'-P-C4' energy: -158.900
flat angles P-C4'-P energy: -93.362
tors. eta vs tors. theta energy: -185.169
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: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2129.754076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.754076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.146082 (E_RNA)
where:
Base-Base interactions energy: -1471.044
where: short stacking energy: -628.112
Base-Backbone interact. energy: -3.499
local terms energy: -656.602912
where:
bonds (distance) C4'-P energy: -130.938
bonds (distance) P-C4' energy: -131.391
flat angles C4'-P-C4' energy: -151.081
flat angles P-C4'-P energy: -76.681
tors. eta vs tors. theta energy: -166.512
Dist. restrs. and SS energy: 1.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1980.915136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.915136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.357512 (E_RNA)
where:
Base-Base interactions energy: -1322.002
where: short stacking energy: -582.317
Base-Backbone interact. energy: -1.989
local terms energy: -659.367327
where:
bonds (distance) C4'-P energy: -132.625
bonds (distance) P-C4' energy: -153.975
flat angles C4'-P-C4' energy: -141.610
flat angles P-C4'-P energy: -88.859
tors. eta vs tors. theta energy: -142.299
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1949.971535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.971535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.247302 (E_RNA)
where:
Base-Base interactions energy: -1335.747
where: short stacking energy: -559.699
Base-Backbone interact. energy: -2.937
local terms energy: -614.562653
where:
bonds (distance) C4'-P energy: -125.037
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -124.049
flat angles P-C4'-P energy: -94.545
tors. eta vs tors. theta energy: -142.667
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: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1865.088432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.088432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.864014 (E_RNA)
where:
Base-Base interactions energy: -1235.164
where: short stacking energy: -510.959
Base-Backbone interact. energy: -1.308
local terms energy: -632.391385
where:
bonds (distance) C4'-P energy: -135.577
bonds (distance) P-C4' energy: -160.036
flat angles C4'-P-C4' energy: -135.256
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -109.754
Dist. restrs. and SS energy: 3.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2874.367426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.367426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.928954 (E_RNA)
where:
Base-Base interactions energy: -1994.443
where: short stacking energy: -829.560
Base-Backbone interact. energy: 0.582
local terms energy: -882.067843
where:
bonds (distance) C4'-P energy: -146.858
bonds (distance) P-C4' energy: -168.473
flat angles C4'-P-C4' energy: -192.531
flat angles P-C4'-P energy: -126.842
tors. eta vs tors. theta energy: -247.364
Dist. restrs. and SS energy: 1.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2695.882675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.882675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.272653 (E_RNA)
where:
Base-Base interactions energy: -1868.595
where: short stacking energy: -810.270
Base-Backbone interact. energy: 8.094
local terms energy: -836.771572
where:
bonds (distance) C4'-P energy: -139.020
bonds (distance) P-C4' energy: -158.518
flat angles C4'-P-C4' energy: -187.909
flat angles P-C4'-P energy: -112.399
tors. eta vs tors. theta energy: -238.926
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2591.879879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.879879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.959189 (E_RNA)
where:
Base-Base interactions energy: -1790.816
where: short stacking energy: -740.838
Base-Backbone interact. energy: 2.276
local terms energy: -805.419192
where:
bonds (distance) C4'-P energy: -140.571
bonds (distance) P-C4' energy: -148.591
flat angles C4'-P-C4' energy: -173.549
flat angles P-C4'-P energy: -123.713
tors. eta vs tors. theta energy: -218.995
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: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2454.058258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.058258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.753708 (E_RNA)
where:
Base-Base interactions energy: -1654.326
where: short stacking energy: -705.556
Base-Backbone interact. energy: -4.098
local terms energy: -797.329293
where:
bonds (distance) C4'-P energy: -154.515
bonds (distance) P-C4' energy: -158.362
flat angles C4'-P-C4' energy: -173.606
flat angles P-C4'-P energy: -105.211
tors. eta vs tors. theta energy: -205.635
Dist. restrs. and SS energy: 1.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2279.929842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.929842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.165761 (E_RNA)
where:
Base-Base interactions energy: -1542.853
where: short stacking energy: -686.152
Base-Backbone interact. energy: 1.582
local terms energy: -740.895626
where:
bonds (distance) C4'-P energy: -126.609
bonds (distance) P-C4' energy: -157.149
flat angles C4'-P-C4' energy: -155.743
flat angles P-C4'-P energy: -111.420
tors. eta vs tors. theta energy: -189.973
Dist. restrs. and SS energy: 2.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2214.966585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.966585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.909750 (E_RNA)
where:
Base-Base interactions energy: -1508.071
where: short stacking energy: -647.573
Base-Backbone interact. energy: -3.116
local terms energy: -704.723062
where:
bonds (distance) C4'-P energy: -137.813
bonds (distance) P-C4' energy: -137.034
flat angles C4'-P-C4' energy: -149.911
flat angles P-C4'-P energy: -100.614
tors. eta vs tors. theta energy: -179.351
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2131.723181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.723181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.119839 (E_RNA)
where:
Base-Base interactions energy: -1416.101
where: short stacking energy: -615.098
Base-Backbone interact. energy: -0.669
local terms energy: -719.349350
where:
bonds (distance) C4'-P energy: -126.430
bonds (distance) P-C4' energy: -149.966
flat angles C4'-P-C4' energy: -159.882
flat angles P-C4'-P energy: -107.613
tors. eta vs tors. theta energy: -175.459
Dist. restrs. and SS energy: 4.397 (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: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2015.547088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.547088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.952763 (E_RNA)
where:
Base-Base interactions energy: -1355.083
where: short stacking energy: -585.447
Base-Backbone interact. energy: -7.174
local terms energy: -655.695942
where:
bonds (distance) C4'-P energy: -119.636
bonds (distance) P-C4' energy: -143.775
flat angles C4'-P-C4' energy: -156.550
flat angles P-C4'-P energy: -92.238
tors. eta vs tors. theta energy: -143.497
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -2014.703666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.703666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.282563 (E_RNA)
where:
Base-Base interactions energy: -1374.620
where: short stacking energy: -551.266
Base-Backbone interact. energy: -1.024
local terms energy: -642.638138
where:
bonds (distance) C4'-P energy: -139.657
bonds (distance) P-C4' energy: -144.283
flat angles C4'-P-C4' energy: -122.465
flat angles P-C4'-P energy: -93.950
tors. eta vs tors. theta energy: -142.283
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1812.880698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.880698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.536397 (E_RNA)
where:
Base-Base interactions energy: -1253.288
where: short stacking energy: -500.717
Base-Backbone interact. energy: 8.487
local terms energy: -573.735490
where:
bonds (distance) C4'-P energy: -123.994
bonds (distance) P-C4' energy: -107.748
flat angles C4'-P-C4' energy: -126.401
flat angles P-C4'-P energy: -87.252
tors. eta vs tors. theta energy: -128.340
Dist. restrs. and SS energy: 5.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2850.911472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.911472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.384953 (E_RNA)
where:
Base-Base interactions energy: -1974.383
where: short stacking energy: -809.121
Base-Backbone interact. energy: -1.277
local terms energy: -876.724364
where:
bonds (distance) C4'-P energy: -167.427
bonds (distance) P-C4' energy: -173.763
flat angles C4'-P-C4' energy: -183.778
flat angles P-C4'-P energy: -122.538
tors. eta vs tors. theta energy: -229.219
Dist. restrs. and SS energy: 1.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2688.017862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.017862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.738084 (E_RNA)
where:
Base-Base interactions energy: -1833.284
where: short stacking energy: -796.011
Base-Backbone interact. energy: -0.501
local terms energy: -855.952917
where:
bonds (distance) C4'-P energy: -154.636
bonds (distance) P-C4' energy: -154.894
flat angles C4'-P-C4' energy: -174.819
flat angles P-C4'-P energy: -131.107
tors. eta vs tors. theta energy: -240.497
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: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2669.588524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.588524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.131901 (E_RNA)
where:
Base-Base interactions energy: -1858.615
where: short stacking energy: -773.553
Base-Backbone interact. energy: -4.310
local terms energy: -808.206633
where:
bonds (distance) C4'-P energy: -144.187
bonds (distance) P-C4' energy: -151.185
flat angles C4'-P-C4' energy: -177.267
flat angles P-C4'-P energy: -103.008
tors. eta vs tors. theta energy: -232.559
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2473.380610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.380610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.972389 (E_RNA)
where:
Base-Base interactions energy: -1664.649
where: short stacking energy: -725.048
Base-Backbone interact. energy: -3.092
local terms energy: -807.231887
where:
bonds (distance) C4'-P energy: -149.972
bonds (distance) P-C4' energy: -150.956
flat angles C4'-P-C4' energy: -171.144
flat angles P-C4'-P energy: -124.469
tors. eta vs tors. theta energy: -210.692
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2327.320612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.320612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.803160 (E_RNA)
where:
Base-Base interactions energy: -1597.558
where: short stacking energy: -685.772
Base-Backbone interact. energy: -3.079
local terms energy: -728.166702
where:
bonds (distance) C4'-P energy: -134.949
bonds (distance) P-C4' energy: -157.631
flat angles C4'-P-C4' energy: -156.299
flat angles P-C4'-P energy: -87.189
tors. eta vs tors. theta energy: -192.098
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2252.776956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.776956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.781640 (E_RNA)
where:
Base-Base interactions energy: -1529.972
where: short stacking energy: -677.113
Base-Backbone interact. energy: 0.763
local terms energy: -724.572733
where:
bonds (distance) C4'-P energy: -133.792
bonds (distance) P-C4' energy: -136.199
flat angles C4'-P-C4' energy: -157.408
flat angles P-C4'-P energy: -108.457
tors. eta vs tors. theta energy: -188.716
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: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2160.414897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.414897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.141040 (E_RNA)
where:
Base-Base interactions energy: -1474.996
where: short stacking energy: -622.733
Base-Backbone interact. energy: 0.794
local terms energy: -687.939077
where:
bonds (distance) C4'-P energy: -124.466
bonds (distance) P-C4' energy: -143.057
flat angles C4'-P-C4' energy: -145.688
flat angles P-C4'-P energy: -103.019
tors. eta vs tors. theta energy: -171.709
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: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1979.239946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.239946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.942196 (E_RNA)
where:
Base-Base interactions energy: -1351.213
where: short stacking energy: -598.152
Base-Backbone interact. energy: -4.445
local terms energy: -626.285025
where:
bonds (distance) C4'-P energy: -146.747
bonds (distance) P-C4' energy: -100.471
flat angles C4'-P-C4' energy: -153.092
flat angles P-C4'-P energy: -71.273
tors. eta vs tors. theta energy: -154.702
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1984.213593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.213593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.783844 (E_RNA)
where:
Base-Base interactions energy: -1327.142
where: short stacking energy: -550.403
Base-Backbone interact. energy: -2.083
local terms energy: -657.558118
where:
bonds (distance) C4'-P energy: -132.813
bonds (distance) P-C4' energy: -129.541
flat angles C4'-P-C4' energy: -150.715
flat angles P-C4'-P energy: -81.538
tors. eta vs tors. theta energy: -162.952
Dist. restrs. and SS energy: 2.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1875.445058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.445058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.823030 (E_RNA)
where:
Base-Base interactions energy: -1285.515
where: short stacking energy: -538.992
Base-Backbone interact. energy: -1.363
local terms energy: -590.945011
where:
bonds (distance) C4'-P energy: -102.898
bonds (distance) P-C4' energy: -116.636
flat angles C4'-P-C4' energy: -132.519
flat angles P-C4'-P energy: -98.909
tors. eta vs tors. theta energy: -139.983
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: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2871.550136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.550136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.805626 (E_RNA)
where:
Base-Base interactions energy: -1980.401
where: short stacking energy: -849.875
Base-Backbone interact. energy: -2.951
local terms energy: -889.453750
where:
bonds (distance) C4'-P energy: -166.153
bonds (distance) P-C4' energy: -161.465
flat angles C4'-P-C4' energy: -187.515
flat angles P-C4'-P energy: -141.271
tors. eta vs tors. theta energy: -233.050
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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2692.020712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.020712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.153695 (E_RNA)
where:
Base-Base interactions energy: -1849.937
where: short stacking energy: -814.295
Base-Backbone interact. energy: -5.850
local terms energy: -838.366702
where:
bonds (distance) C4'-P energy: -146.424
bonds (distance) P-C4' energy: -156.680
flat angles C4'-P-C4' energy: -177.645
flat angles P-C4'-P energy: -119.719
tors. eta vs tors. theta energy: -237.899
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2648.605959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.605959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.802941 (E_RNA)
where:
Base-Base interactions energy: -1819.914
where: short stacking energy: -782.696
Base-Backbone interact. energy: -3.739
local terms energy: -826.150096
where:
bonds (distance) C4'-P energy: -150.831
bonds (distance) P-C4' energy: -161.847
flat angles C4'-P-C4' energy: -175.847
flat angles P-C4'-P energy: -117.976
tors. eta vs tors. theta energy: -219.650
Dist. restrs. and SS energy: 1.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2435.898316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.898316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.533172 (E_RNA)
where:
Base-Base interactions energy: -1656.474
where: short stacking energy: -704.716
Base-Backbone interact. energy: -3.410
local terms energy: -777.648450
where:
bonds (distance) C4'-P energy: -146.358
bonds (distance) P-C4' energy: -166.440
flat angles C4'-P-C4' energy: -167.663
flat angles P-C4'-P energy: -91.389
tors. eta vs tors. theta energy: -205.797
Dist. restrs. and SS energy: 1.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2345.635709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.635709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.727947 (E_RNA)
where:
Base-Base interactions energy: -1564.496
where: short stacking energy: -677.725
Base-Backbone interact. energy: -1.192
local terms energy: -782.040282
where:
bonds (distance) C4'-P energy: -149.719
bonds (distance) P-C4' energy: -142.602
flat angles C4'-P-C4' energy: -176.393
flat angles P-C4'-P energy: -120.329
tors. eta vs tors. theta energy: -192.996
Dist. restrs. and SS energy: 2.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2263.297179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.297179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.058271 (E_RNA)
where:
Base-Base interactions energy: -1504.434
where: short stacking energy: -659.054
Base-Backbone interact. energy: -0.708
local terms energy: -760.917088
where:
bonds (distance) C4'-P energy: -153.237
bonds (distance) P-C4' energy: -140.812
flat angles C4'-P-C4' energy: -163.883
flat angles P-C4'-P energy: -110.013
tors. eta vs tors. theta energy: -192.972
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: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2124.658354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.658354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.025079 (E_RNA)
where:
Base-Base interactions energy: -1440.376
where: short stacking energy: -611.148
Base-Backbone interact. energy: 1.029
local terms energy: -687.678146
where:
bonds (distance) C4'-P energy: -149.423
bonds (distance) P-C4' energy: -122.054
flat angles C4'-P-C4' energy: -150.591
flat angles P-C4'-P energy: -101.980
tors. eta vs tors. theta energy: -163.630
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: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1999.191667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.191667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.447875 (E_RNA)
where:
Base-Base interactions energy: -1358.489
where: short stacking energy: -575.683
Base-Backbone interact. energy: 0.772
local terms energy: -643.730251
where:
bonds (distance) C4'-P energy: -127.741
bonds (distance) P-C4' energy: -125.075
flat angles C4'-P-C4' energy: -161.519
flat angles P-C4'-P energy: -81.888
tors. eta vs tors. theta energy: -147.508
Dist. restrs. and SS energy: 2.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1921.606697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.606697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.583057 (E_RNA)
where:
Base-Base interactions energy: -1323.662
where: short stacking energy: -533.597
Base-Backbone interact. energy: -1.965
local terms energy: -597.956245
where:
bonds (distance) C4'-P energy: -107.956
bonds (distance) P-C4' energy: -142.738
flat angles C4'-P-C4' energy: -135.717
flat angles P-C4'-P energy: -76.664
tors. eta vs tors. theta energy: -134.881
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1916.419291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.419291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.812293 (E_RNA)
where:
Base-Base interactions energy: -1282.991
where: short stacking energy: -552.394
Base-Backbone interact. energy: -0.367
local terms energy: -636.454151
where:
bonds (distance) C4'-P energy: -126.787
bonds (distance) P-C4' energy: -134.811
flat angles C4'-P-C4' energy: -131.923
flat angles P-C4'-P energy: -107.736
tors. eta vs tors. theta energy: -135.197
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: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2885.256110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.256110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.995056 (E_RNA)
where:
Base-Base interactions energy: -2009.113
where: short stacking energy: -837.617
Base-Backbone interact. energy: 3.461
local terms energy: -880.343263
where:
bonds (distance) C4'-P energy: -161.245
bonds (distance) P-C4' energy: -154.590
flat angles C4'-P-C4' energy: -190.437
flat angles P-C4'-P energy: -127.858
tors. eta vs tors. theta energy: -246.214
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2699.819952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.819952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.875392 (E_RNA)
where:
Base-Base interactions energy: -1836.373
where: short stacking energy: -810.812
Base-Backbone interact. energy: -0.045
local terms energy: -864.457016
where:
bonds (distance) C4'-P energy: -151.570
bonds (distance) P-C4' energy: -167.845
flat angles C4'-P-C4' energy: -183.522
flat angles P-C4'-P energy: -126.980
tors. eta vs tors. theta energy: -234.540
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2626.531083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.531083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.350400 (E_RNA)
where:
Base-Base interactions energy: -1811.248
where: short stacking energy: -747.317
Base-Backbone interact. energy: -3.315
local terms energy: -814.786873
where:
bonds (distance) C4'-P energy: -146.421
bonds (distance) P-C4' energy: -159.626
flat angles C4'-P-C4' energy: -177.839
flat angles P-C4'-P energy: -118.526
tors. eta vs tors. theta energy: -212.375
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2456.996670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.996670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.877871 (E_RNA)
where:
Base-Base interactions energy: -1648.914
where: short stacking energy: -705.598
Base-Backbone interact. energy: -0.542
local terms energy: -810.422461
where:
bonds (distance) C4'-P energy: -166.294
bonds (distance) P-C4' energy: -162.542
flat angles C4'-P-C4' energy: -166.246
flat angles P-C4'-P energy: -113.840
tors. eta vs tors. theta energy: -201.501
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: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2315.336366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.336366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.837002 (E_RNA)
where:
Base-Base interactions energy: -1538.665
where: short stacking energy: -696.630
Base-Backbone interact. energy: -6.259
local terms energy: -772.913503
where:
bonds (distance) C4'-P energy: -137.200
bonds (distance) P-C4' energy: -147.564
flat angles C4'-P-C4' energy: -179.915
flat angles P-C4'-P energy: -114.097
tors. eta vs tors. theta energy: -194.137
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: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2271.025105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.025105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.523453 (E_RNA)
where:
Base-Base interactions energy: -1527.849
where: short stacking energy: -670.949
Base-Backbone interact. energy: -2.189
local terms energy: -744.484812
where:
bonds (distance) C4'-P energy: -145.095
bonds (distance) P-C4' energy: -130.122
flat angles C4'-P-C4' energy: -155.240
flat angles P-C4'-P energy: -108.899
tors. eta vs tors. theta energy: -205.129
Dist. restrs. and SS energy: 3.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2119.653278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.653278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.208567 (E_RNA)
where:
Base-Base interactions energy: -1398.324
where: short stacking energy: -588.077
Base-Backbone interact. energy: 0.638
local terms energy: -723.523326
where:
bonds (distance) C4'-P energy: -142.595
bonds (distance) P-C4' energy: -147.556
flat angles C4'-P-C4' energy: -157.684
flat angles P-C4'-P energy: -100.224
tors. eta vs tors. theta energy: -175.465
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: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2003.718561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.718561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.040924 (E_RNA)
where:
Base-Base interactions energy: -1362.765
where: short stacking energy: -599.673
Base-Backbone interact. energy: -0.374
local terms energy: -643.902154
where:
bonds (distance) C4'-P energy: -126.302
bonds (distance) P-C4' energy: -137.371
flat angles C4'-P-C4' energy: -149.173
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: -158.634
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: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1926.901503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.901503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.641435 (E_RNA)
where:
Base-Base interactions energy: -1314.313
where: short stacking energy: -547.002
Base-Backbone interact. energy: 4.770
local terms energy: -620.098005
where:
bonds (distance) C4'-P energy: -134.329
bonds (distance) P-C4' energy: -137.839
flat angles C4'-P-C4' energy: -130.229
flat angles P-C4'-P energy: -89.591
tors. eta vs tors. theta energy: -128.110
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: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1912.382190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.382190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.153019 (E_RNA)
where:
Base-Base interactions energy: -1306.150
where: short stacking energy: -548.972
Base-Backbone interact. energy: 8.772
local terms energy: -618.774673
where:
bonds (distance) C4'-P energy: -108.967
bonds (distance) P-C4' energy: -136.486
flat angles C4'-P-C4' energy: -140.083
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -156.664
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: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2862.173214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.173214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.632138 (E_RNA)
where:
Base-Base interactions energy: -1961.628
where: short stacking energy: -825.633
Base-Backbone interact. energy: 5.264
local terms energy: -907.267908
where:
bonds (distance) C4'-P energy: -174.612
bonds (distance) P-C4' energy: -168.388
flat angles C4'-P-C4' energy: -184.730
flat angles P-C4'-P energy: -137.149
tors. eta vs tors. theta energy: -242.389
Dist. restrs. and SS energy: 1.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2741.172316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.172316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.446740 (E_RNA)
where:
Base-Base interactions energy: -1904.707
where: short stacking energy: -800.015
Base-Backbone interact. energy: -0.797
local terms energy: -836.942740
where:
bonds (distance) C4'-P energy: -146.751
bonds (distance) P-C4' energy: -143.846
flat angles C4'-P-C4' energy: -188.008
flat angles P-C4'-P energy: -132.837
tors. eta vs tors. theta energy: -225.501
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2628.458448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.458448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.104196 (E_RNA)
where:
Base-Base interactions energy: -1788.494
where: short stacking energy: -794.304
Base-Backbone interact. energy: -0.698
local terms energy: -841.911816
where:
bonds (distance) C4'-P energy: -147.197
bonds (distance) P-C4' energy: -154.732
flat angles C4'-P-C4' energy: -191.550
flat angles P-C4'-P energy: -117.346
tors. eta vs tors. theta energy: -231.087
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: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2421.830393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.830393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.644668 (E_RNA)
where:
Base-Base interactions energy: -1643.112
where: short stacking energy: -706.718
Base-Backbone interact. energy: -2.036
local terms energy: -779.496204
where:
bonds (distance) C4'-P energy: -147.366
bonds (distance) P-C4' energy: -154.771
flat angles C4'-P-C4' energy: -166.392
flat angles P-C4'-P energy: -106.188
tors. eta vs tors. theta energy: -204.779
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2321.579985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.579985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.377320 (E_RNA)
where:
Base-Base interactions energy: -1561.748
where: short stacking energy: -678.142
Base-Backbone interact. energy: -2.434
local terms energy: -759.195344
where:
bonds (distance) C4'-P energy: -150.558
bonds (distance) P-C4' energy: -144.856
flat angles C4'-P-C4' energy: -164.339
flat angles P-C4'-P energy: -100.494
tors. eta vs tors. theta energy: -198.949
Dist. restrs. and SS energy: 1.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2231.575139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.575139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.923496 (E_RNA)
where:
Base-Base interactions energy: -1504.044
where: short stacking energy: -666.389
Base-Backbone interact. energy: -1.954
local terms energy: -727.924957
where:
bonds (distance) C4'-P energy: -143.096
bonds (distance) P-C4' energy: -125.198
flat angles C4'-P-C4' energy: -172.567
flat angles P-C4'-P energy: -88.865
tors. eta vs tors. theta energy: -198.199
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: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2160.573058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.573058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.507488 (E_RNA)
where:
Base-Base interactions energy: -1458.539
where: short stacking energy: -629.594
Base-Backbone interact. energy: 1.489
local terms energy: -705.457298
where:
bonds (distance) C4'-P energy: -120.256
bonds (distance) P-C4' energy: -141.739
flat angles C4'-P-C4' energy: -159.773
flat angles P-C4'-P energy: -104.620
tors. eta vs tors. theta energy: -179.069
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2009.486225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.486225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.770206 (E_RNA)
where:
Base-Base interactions energy: -1374.604
where: short stacking energy: -580.381
Base-Backbone interact. energy: 2.726
local terms energy: -640.892096
where:
bonds (distance) C4'-P energy: -124.277
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -162.794
flat angles P-C4'-P energy: -97.706
tors. eta vs tors. theta energy: -155.037
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: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1946.659468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.659468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.343496 (E_RNA)
where:
Base-Base interactions energy: -1317.510
where: short stacking energy: -557.140
Base-Backbone interact. energy: -1.817
local terms energy: -629.015704
where:
bonds (distance) C4'-P energy: -128.171
bonds (distance) P-C4' energy: -112.055
flat angles C4'-P-C4' energy: -146.358
flat angles P-C4'-P energy: -98.614
tors. eta vs tors. theta energy: -143.819
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1842.481750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.481750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.471683 (E_RNA)
where:
Base-Base interactions energy: -1200.273
where: short stacking energy: -507.869
Base-Backbone interact. energy: 0.063
local terms energy: -646.261595
where:
bonds (distance) C4'-P energy: -133.936
bonds (distance) P-C4' energy: -151.364
flat angles C4'-P-C4' energy: -134.833
flat angles P-C4'-P energy: -83.550
tors. eta vs tors. theta energy: -142.579
Dist. restrs. and SS energy: 3.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2864.487907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.487907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.105339 (E_RNA)
where:
Base-Base interactions energy: -2016.912
where: short stacking energy: -824.061
Base-Backbone interact. energy: -2.048
local terms energy: -847.144692
where:
bonds (distance) C4'-P energy: -151.743
bonds (distance) P-C4' energy: -159.976
flat angles C4'-P-C4' energy: -168.878
flat angles P-C4'-P energy: -136.078
tors. eta vs tors. theta energy: -230.468
Dist. restrs. and SS energy: 1.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2721.605502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.605502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.733132 (E_RNA)
where:
Base-Base interactions energy: -1894.206
where: short stacking energy: -784.665
Base-Backbone interact. energy: -0.306
local terms energy: -829.221049
where:
bonds (distance) C4'-P energy: -141.274
bonds (distance) P-C4' energy: -158.259
flat angles C4'-P-C4' energy: -185.020
flat angles P-C4'-P energy: -116.795
tors. eta vs tors. theta energy: -227.873
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: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2573.539270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.539270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.869484 (E_RNA)
where:
Base-Base interactions energy: -1770.741
where: short stacking energy: -772.434
Base-Backbone interact. energy: -2.025
local terms energy: -802.103561
where:
bonds (distance) C4'-P energy: -153.670
bonds (distance) P-C4' energy: -154.057
flat angles C4'-P-C4' energy: -176.169
flat angles P-C4'-P energy: -116.237
tors. eta vs tors. theta energy: -201.970
Dist. restrs. and SS energy: 1.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2477.199385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.199385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.659088 (E_RNA)
where:
Base-Base interactions energy: -1705.687
where: short stacking energy: -695.853
Base-Backbone interact. energy: -3.035
local terms energy: -769.937223
where:
bonds (distance) C4'-P energy: -141.828
bonds (distance) P-C4' energy: -154.789
flat angles C4'-P-C4' energy: -164.405
flat angles P-C4'-P energy: -110.091
tors. eta vs tors. theta energy: -198.825
Dist. restrs. and SS energy: 1.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2318.008347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.008347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.153758 (E_RNA)
where:
Base-Base interactions energy: -1572.981
where: short stacking energy: -690.094
Base-Backbone interact. energy: 0.189
local terms energy: -747.362399
where:
bonds (distance) C4'-P energy: -132.745
bonds (distance) P-C4' energy: -160.422
flat angles C4'-P-C4' energy: -160.648
flat angles P-C4'-P energy: -101.456
tors. eta vs tors. theta energy: -192.091
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2224.934912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.934912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.623398 (E_RNA)
where:
Base-Base interactions energy: -1475.200
where: short stacking energy: -626.644
Base-Backbone interact. energy: -2.370
local terms energy: -750.052761
where:
bonds (distance) C4'-P energy: -138.678
bonds (distance) P-C4' energy: -155.579
flat angles C4'-P-C4' energy: -172.031
flat angles P-C4'-P energy: -105.291
tors. eta vs tors. theta energy: -178.474
Dist. restrs. and SS energy: 2.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2111.358080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.358080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.659407 (E_RNA)
where:
Base-Base interactions energy: -1421.044
where: short stacking energy: -596.155
Base-Backbone interact. energy: -0.372
local terms energy: -692.242857
where:
bonds (distance) C4'-P energy: -126.354
bonds (distance) P-C4' energy: -128.073
flat angles C4'-P-C4' energy: -160.993
flat angles P-C4'-P energy: -97.991
tors. eta vs tors. theta energy: -178.832
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: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2043.865169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.865169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.461388 (E_RNA)
where:
Base-Base interactions energy: -1425.115
where: short stacking energy: -627.003
Base-Backbone interact. energy: -0.109
local terms energy: -621.237492
where:
bonds (distance) C4'-P energy: -109.665
bonds (distance) P-C4' energy: -136.073
flat angles C4'-P-C4' energy: -129.082
flat angles P-C4'-P energy: -94.614
tors. eta vs tors. theta energy: -151.804
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: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1952.041305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.041305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.959394 (E_RNA)
where:
Base-Base interactions energy: -1304.567
where: short stacking energy: -555.589
Base-Backbone interact. energy: 2.818
local terms energy: -654.209971
where:
bonds (distance) C4'-P energy: -157.225
bonds (distance) P-C4' energy: -128.223
flat angles C4'-P-C4' energy: -153.881
flat angles P-C4'-P energy: -82.274
tors. eta vs tors. theta energy: -132.608
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1870.807524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.807524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.585248 (E_RNA)
where:
Base-Base interactions energy: -1273.024
where: short stacking energy: -533.888
Base-Backbone interact. energy: 0.558
local terms energy: -602.118668
where:
bonds (distance) C4'-P energy: -134.770
bonds (distance) P-C4' energy: -120.258
flat angles C4'-P-C4' energy: -125.677
flat angles P-C4'-P energy: -85.384
tors. eta vs tors. theta energy: -136.029
Dist. restrs. and SS energy: 3.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2887.319175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.319175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.152221 (E_RNA)
where:
Base-Base interactions energy: -1998.256
where: short stacking energy: -820.470
Base-Backbone interact. energy: -6.027
local terms energy: -885.869399
where:
bonds (distance) C4'-P energy: -154.968
bonds (distance) P-C4' energy: -167.350
flat angles C4'-P-C4' energy: -187.340
flat angles P-C4'-P energy: -138.209
tors. eta vs tors. theta energy: -238.003
Dist. restrs. and SS energy: 2.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2734.666930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.666930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.274559 (E_RNA)
where:
Base-Base interactions energy: -1873.043
where: short stacking energy: -773.627
Base-Backbone interact. energy: -5.415
local terms energy: -857.816314
where:
bonds (distance) C4'-P energy: -166.450
bonds (distance) P-C4' energy: -152.724
flat angles C4'-P-C4' energy: -181.463
flat angles P-C4'-P energy: -126.865
tors. eta vs tors. theta energy: -230.314
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: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2594.084296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.084296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.093616 (E_RNA)
where:
Base-Base interactions energy: -1754.847
where: short stacking energy: -770.032
Base-Backbone interact. energy: -3.463
local terms energy: -836.783042
where:
bonds (distance) C4'-P energy: -150.571
bonds (distance) P-C4' energy: -149.697
flat angles C4'-P-C4' energy: -168.035
flat angles P-C4'-P energy: -136.084
tors. eta vs tors. theta energy: -232.397
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2495.409644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.409644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.186858 (E_RNA)
where:
Base-Base interactions energy: -1716.695
where: short stacking energy: -712.618
Base-Backbone interact. energy: -4.644
local terms energy: -774.847891
where:
bonds (distance) C4'-P energy: -146.904
bonds (distance) P-C4' energy: -149.532
flat angles C4'-P-C4' energy: -171.772
flat angles P-C4'-P energy: -107.976
tors. eta vs tors. theta energy: -198.663
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: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2294.785243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.785243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.523433 (E_RNA)
where:
Base-Base interactions energy: -1548.027
where: short stacking energy: -673.162
Base-Backbone interact. energy: -3.114
local terms energy: -746.382603
where:
bonds (distance) C4'-P energy: -150.439
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -177.058
flat angles P-C4'-P energy: -113.691
tors. eta vs tors. theta energy: -179.931
Dist. restrs. and SS energy: 2.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2239.989267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.989267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.842809 (E_RNA)
where:
Base-Base interactions energy: -1520.188
where: short stacking energy: -668.490
Base-Backbone interact. energy: 1.726
local terms energy: -723.379882
where:
bonds (distance) C4'-P energy: -138.594
bonds (distance) P-C4' energy: -130.781
flat angles C4'-P-C4' energy: -167.229
flat angles P-C4'-P energy: -105.468
tors. eta vs tors. theta energy: -181.309
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2107.808164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.808164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.472269 (E_RNA)
where:
Base-Base interactions energy: -1431.320
where: short stacking energy: -604.248
Base-Backbone interact. energy: 2.537
local terms energy: -681.689843
where:
bonds (distance) C4'-P energy: -113.463
bonds (distance) P-C4' energy: -131.854
flat angles C4'-P-C4' energy: -164.168
flat angles P-C4'-P energy: -97.812
tors. eta vs tors. theta energy: -174.393
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1991.995018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.995018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.201018 (E_RNA)
where:
Base-Base interactions energy: -1343.911
where: short stacking energy: -553.600
Base-Backbone interact. energy: -1.020
local terms energy: -649.270103
where:
bonds (distance) C4'-P energy: -124.100
bonds (distance) P-C4' energy: -136.471
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -108.386
tors. eta vs tors. theta energy: -148.760
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: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1955.579621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.579621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.717977 (E_RNA)
where:
Base-Base interactions energy: -1352.260
where: short stacking energy: -542.804
Base-Backbone interact. energy: -1.251
local terms energy: -605.206469
where:
bonds (distance) C4'-P energy: -113.067
bonds (distance) P-C4' energy: -125.463
flat angles C4'-P-C4' energy: -137.303
flat angles P-C4'-P energy: -100.324
tors. eta vs tors. theta energy: -129.050
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1958.280135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.280135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.241003 (E_RNA)
where:
Base-Base interactions energy: -1323.204
where: short stacking energy: -566.414
Base-Backbone interact. energy: -3.049
local terms energy: -634.988051
where:
bonds (distance) C4'-P energy: -130.479
bonds (distance) P-C4' energy: -119.321
flat angles C4'-P-C4' energy: -146.168
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -165.451
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: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2891.047801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.047801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.232286 (E_RNA)
where:
Base-Base interactions energy: -2012.262
where: short stacking energy: -832.530
Base-Backbone interact. energy: -5.701
local terms energy: -875.268420
where:
bonds (distance) C4'-P energy: -163.243
bonds (distance) P-C4' energy: -159.446
flat angles C4'-P-C4' energy: -191.159
flat angles P-C4'-P energy: -127.292
tors. eta vs tors. theta energy: -234.129
Dist. restrs. and SS energy: 2.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2736.828852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.828852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.038409 (E_RNA)
where:
Base-Base interactions energy: -1887.127
where: short stacking energy: -793.796
Base-Backbone interact. energy: -4.943
local terms energy: -845.968292
where:
bonds (distance) C4'-P energy: -158.059
bonds (distance) P-C4' energy: -159.131
flat angles C4'-P-C4' energy: -190.738
flat angles P-C4'-P energy: -109.977
tors. eta vs tors. theta energy: -228.063
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: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2608.289235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.289235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.421453 (E_RNA)
where:
Base-Base interactions energy: -1790.074
where: short stacking energy: -782.427
Base-Backbone interact. energy: -2.321
local terms energy: -817.026306
where:
bonds (distance) C4'-P energy: -130.637
bonds (distance) P-C4' energy: -146.290
flat angles C4'-P-C4' energy: -188.878
flat angles P-C4'-P energy: -111.762
tors. eta vs tors. theta energy: -239.460
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: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2491.299790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.299790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.252586 (E_RNA)
where:
Base-Base interactions energy: -1720.301
where: short stacking energy: -738.959
Base-Backbone interact. energy: -1.952
local terms energy: -771.999485
where:
bonds (distance) C4'-P energy: -132.635
bonds (distance) P-C4' energy: -143.556
flat angles C4'-P-C4' energy: -174.851
flat angles P-C4'-P energy: -110.130
tors. eta vs tors. theta energy: -210.828
Dist. restrs. and SS energy: 2.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2300.213497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.213497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.012826 (E_RNA)
where:
Base-Base interactions energy: -1573.937
where: short stacking energy: -673.887
Base-Backbone interact. energy: 2.333
local terms energy: -730.409460
where:
bonds (distance) C4'-P energy: -136.212
bonds (distance) P-C4' energy: -151.539
flat angles C4'-P-C4' energy: -156.380
flat angles P-C4'-P energy: -97.450
tors. eta vs tors. theta energy: -188.829
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: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2211.727374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.727374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.980347 (E_RNA)
where:
Base-Base interactions energy: -1510.375
where: short stacking energy: -652.141
Base-Backbone interact. energy: -2.594
local terms energy: -701.011740
where:
bonds (distance) C4'-P energy: -127.672
bonds (distance) P-C4' energy: -128.151
flat angles C4'-P-C4' energy: -157.506
flat angles P-C4'-P energy: -107.355
tors. eta vs tors. theta energy: -180.327
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: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2145.816995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.816995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.894271 (E_RNA)
where:
Base-Base interactions energy: -1440.954
where: short stacking energy: -619.695
Base-Backbone interact. energy: -0.200
local terms energy: -706.740054
where:
bonds (distance) C4'-P energy: -137.774
bonds (distance) P-C4' energy: -130.795
flat angles C4'-P-C4' energy: -160.891
flat angles P-C4'-P energy: -115.226
tors. eta vs tors. theta energy: -162.055
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2026.937323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.937323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.410120 (E_RNA)
where:
Base-Base interactions energy: -1352.339
where: short stacking energy: -578.145
Base-Backbone interact. energy: -0.712
local terms energy: -676.358625
where:
bonds (distance) C4'-P energy: -144.923
bonds (distance) P-C4' energy: -140.191
flat angles C4'-P-C4' energy: -156.467
flat angles P-C4'-P energy: -83.555
tors. eta vs tors. theta energy: -151.223
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: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1930.380417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.380417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.881366 (E_RNA)
where:
Base-Base interactions energy: -1315.263
where: short stacking energy: -578.617
Base-Backbone interact. energy: -3.576
local terms energy: -615.041922
where:
bonds (distance) C4'-P energy: -122.613
bonds (distance) P-C4' energy: -119.638
flat angles C4'-P-C4' energy: -141.753
flat angles P-C4'-P energy: -98.721
tors. eta vs tors. theta energy: -132.318
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1907.352690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.352690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.600702 (E_RNA)
where:
Base-Base interactions energy: -1284.868
where: short stacking energy: -552.358
Base-Backbone interact. energy: -1.014
local terms energy: -625.718686
where:
bonds (distance) C4'-P energy: -123.418
bonds (distance) P-C4' energy: -130.938
flat angles C4'-P-C4' energy: -154.307
flat angles P-C4'-P energy: -80.165
tors. eta vs tors. theta energy: -136.892
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: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2889.446554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.446554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.676322 (E_RNA)
where:
Base-Base interactions energy: -1992.510
where: short stacking energy: -828.051
Base-Backbone interact. energy: -2.928
local terms energy: -895.238750
where:
bonds (distance) C4'-P energy: -158.821
bonds (distance) P-C4' energy: -170.976
flat angles C4'-P-C4' energy: -187.630
flat angles P-C4'-P energy: -136.461
tors. eta vs tors. theta energy: -241.351
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: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2720.329964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.329964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.920283 (E_RNA)
where:
Base-Base interactions energy: -1871.910
where: short stacking energy: -757.964
Base-Backbone interact. energy: -7.415
local terms energy: -842.595719
where:
bonds (distance) C4'-P energy: -157.254
bonds (distance) P-C4' energy: -154.722
flat angles C4'-P-C4' energy: -189.292
flat angles P-C4'-P energy: -120.775
tors. eta vs tors. theta energy: -220.553
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2599.973369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.973369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.723555 (E_RNA)
where:
Base-Base interactions energy: -1779.782
where: short stacking energy: -782.757
Base-Backbone interact. energy: 1.191
local terms energy: -823.133188
where:
bonds (distance) C4'-P energy: -148.274
bonds (distance) P-C4' energy: -151.254
flat angles C4'-P-C4' energy: -175.930
flat angles P-C4'-P energy: -123.123
tors. eta vs tors. theta energy: -224.552
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2439.931470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.931470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.254464 (E_RNA)
where:
Base-Base interactions energy: -1639.440
where: short stacking energy: -703.990
Base-Backbone interact. energy: -2.593
local terms energy: -802.221422
where:
bonds (distance) C4'-P energy: -155.186
bonds (distance) P-C4' energy: -164.720
flat angles C4'-P-C4' energy: -162.987
flat angles P-C4'-P energy: -124.706
tors. eta vs tors. theta energy: -194.623
Dist. restrs. and SS energy: 4.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2273.945662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.945662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.639529 (E_RNA)
where:
Base-Base interactions energy: -1517.045
where: short stacking energy: -627.622
Base-Backbone interact. energy: -0.682
local terms energy: -757.912577
where:
bonds (distance) C4'-P energy: -140.422
bonds (distance) P-C4' energy: -160.032
flat angles C4'-P-C4' energy: -162.967
flat angles P-C4'-P energy: -111.150
tors. eta vs tors. theta energy: -183.342
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: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2177.029124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.029124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.923867 (E_RNA)
where:
Base-Base interactions energy: -1440.119
where: short stacking energy: -604.102
Base-Backbone interact. energy: 5.429
local terms energy: -745.234014
where:
bonds (distance) C4'-P energy: -151.846
bonds (distance) P-C4' energy: -158.271
flat angles C4'-P-C4' energy: -161.435
flat angles P-C4'-P energy: -102.740
tors. eta vs tors. theta energy: -170.941
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: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2124.733116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.733116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.009128 (E_RNA)
where:
Base-Base interactions energy: -1423.249
where: short stacking energy: -603.601
Base-Backbone interact. energy: -1.979
local terms energy: -701.780633
where:
bonds (distance) C4'-P energy: -114.482
bonds (distance) P-C4' energy: -161.688
flat angles C4'-P-C4' energy: -161.564
flat angles P-C4'-P energy: -96.926
tors. eta vs tors. theta energy: -167.120
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: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1980.948105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.948105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.220412 (E_RNA)
where:
Base-Base interactions energy: -1338.770
where: short stacking energy: -574.936
Base-Backbone interact. energy: -0.692
local terms energy: -644.758280
where:
bonds (distance) C4'-P energy: -111.349
bonds (distance) P-C4' energy: -155.034
flat angles C4'-P-C4' energy: -147.968
flat angles P-C4'-P energy: -88.869
tors. eta vs tors. theta energy: -141.538
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: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1932.193902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.193902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.290651 (E_RNA)
where:
Base-Base interactions energy: -1325.130
where: short stacking energy: -560.011
Base-Backbone interact. energy: 6.114
local terms energy: -617.274650
where:
bonds (distance) C4'-P energy: -119.253
bonds (distance) P-C4' energy: -129.312
flat angles C4'-P-C4' energy: -145.167
flat angles P-C4'-P energy: -84.847
tors. eta vs tors. theta energy: -138.696
Dist. restrs. and SS energy: 4.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1847.301583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.301583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.629486 (E_RNA)
where:
Base-Base interactions energy: -1248.026
where: short stacking energy: -535.766
Base-Backbone interact. energy: -1.799
local terms energy: -601.804332
where:
bonds (distance) C4'-P energy: -122.287
bonds (distance) P-C4' energy: -128.262
flat angles C4'-P-C4' energy: -134.322
flat angles P-C4'-P energy: -77.509
tors. eta vs tors. theta energy: -139.424
Dist. restrs. and SS energy: 4.328 (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: 168
Temperature: 0.900000
Total energy: -2901.775009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.775009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.646080 (E_RNA)
where:
Base-Base interactions energy: -2039.765
where: short stacking energy: -825.975
Base-Backbone interact. energy: -1.457
local terms energy: -862.424418
where:
bonds (distance) C4'-P energy: -149.668
bonds (distance) P-C4' energy: -167.718
flat angles C4'-P-C4' energy: -173.294
flat angles P-C4'-P energy: -134.932
tors. eta vs tors. theta energy: -236.812
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2699.452918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.452918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.090699 (E_RNA)
where:
Base-Base interactions energy: -1895.549
where: short stacking energy: -812.674
Base-Backbone interact. energy: 0.984
local terms energy: -806.525829
where:
bonds (distance) C4'-P energy: -144.846
bonds (distance) P-C4' energy: -145.110
flat angles C4'-P-C4' energy: -175.298
flat angles P-C4'-P energy: -113.031
tors. eta vs tors. theta energy: -228.241
Dist. restrs. and SS energy: 1.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2612.734333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.734333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.828043 (E_RNA)
where:
Base-Base interactions energy: -1819.300
where: short stacking energy: -781.691
Base-Backbone interact. energy: -1.815
local terms energy: -793.713128
where:
bonds (distance) C4'-P energy: -134.121
bonds (distance) P-C4' energy: -154.470
flat angles C4'-P-C4' energy: -161.343
flat angles P-C4'-P energy: -114.002
tors. eta vs tors. theta energy: -229.777
Dist. restrs. and SS energy: 2.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2479.399449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.399449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.099587 (E_RNA)
where:
Base-Base interactions energy: -1682.856
where: short stacking energy: -694.062
Base-Backbone interact. energy: -1.198
local terms energy: -797.045245
where:
bonds (distance) C4'-P energy: -165.144
bonds (distance) P-C4' energy: -153.290
flat angles C4'-P-C4' energy: -164.959
flat angles P-C4'-P energy: -109.921
tors. eta vs tors. theta energy: -203.732
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: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2303.395814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.395814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.517641 (E_RNA)
where:
Base-Base interactions energy: -1588.145
where: short stacking energy: -690.073
Base-Backbone interact. energy: -1.450
local terms energy: -714.923224
where:
bonds (distance) C4'-P energy: -123.506
bonds (distance) P-C4' energy: -143.047
flat angles C4'-P-C4' energy: -161.003
flat angles P-C4'-P energy: -92.679
tors. eta vs tors. theta energy: -194.689
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: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2217.233618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.233618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.013449 (E_RNA)
where:
Base-Base interactions energy: -1498.543
where: short stacking energy: -647.285
Base-Backbone interact. energy: -1.551
local terms energy: -718.919606
where:
bonds (distance) C4'-P energy: -132.598
bonds (distance) P-C4' energy: -153.347
flat angles C4'-P-C4' energy: -154.863
flat angles P-C4'-P energy: -100.360
tors. eta vs tors. theta energy: -177.752
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2107.455413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.455413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.983340 (E_RNA)
where:
Base-Base interactions energy: -1420.598
where: short stacking energy: -598.326
Base-Backbone interact. energy: -1.349
local terms energy: -689.037293
where:
bonds (distance) C4'-P energy: -122.696
bonds (distance) P-C4' energy: -143.112
flat angles C4'-P-C4' energy: -152.691
flat angles P-C4'-P energy: -107.110
tors. eta vs tors. theta energy: -163.428
Dist. restrs. and SS energy: 3.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1978.206845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.206845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.025989 (E_RNA)
where:
Base-Base interactions energy: -1322.941
where: short stacking energy: -544.213
Base-Backbone interact. energy: -0.671
local terms energy: -657.413990
where:
bonds (distance) C4'-P energy: -129.438
bonds (distance) P-C4' energy: -130.063
flat angles C4'-P-C4' energy: -147.578
flat angles P-C4'-P energy: -102.943
tors. eta vs tors. theta energy: -147.392
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1957.172787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.172787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.845610 (E_RNA)
where:
Base-Base interactions energy: -1314.844
where: short stacking energy: -554.278
Base-Backbone interact. energy: 0.993
local terms energy: -645.994396
where:
bonds (distance) C4'-P energy: -125.484
bonds (distance) P-C4' energy: -154.084
flat angles C4'-P-C4' energy: -145.174
flat angles P-C4'-P energy: -89.725
tors. eta vs tors. theta energy: -131.527
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1835.820866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.820866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.695874 (E_RNA)
where:
Base-Base interactions energy: -1247.883
where: short stacking energy: -527.971
Base-Backbone interact. energy: -0.884
local terms energy: -588.929288
where:
bonds (distance) C4'-P energy: -117.238
bonds (distance) P-C4' energy: -127.094
flat angles C4'-P-C4' energy: -142.556
flat angles P-C4'-P energy: -67.253
tors. eta vs tors. theta energy: -134.788
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: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2908.677683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.677683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.446731 (E_RNA)
where:
Base-Base interactions energy: -2037.791
where: short stacking energy: -820.660
Base-Backbone interact. energy: -5.001
local terms energy: -867.654699
where:
bonds (distance) C4'-P energy: -172.579
bonds (distance) P-C4' energy: -154.348
flat angles C4'-P-C4' energy: -164.062
flat angles P-C4'-P energy: -136.751
tors. eta vs tors. theta energy: -239.915
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: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2735.182964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.182964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.583930 (E_RNA)
where:
Base-Base interactions energy: -1905.182
where: short stacking energy: -789.649
Base-Backbone interact. energy: -1.921
local terms energy: -830.480263
where:
bonds (distance) C4'-P energy: -163.121
bonds (distance) P-C4' energy: -154.506
flat angles C4'-P-C4' energy: -179.794
flat angles P-C4'-P energy: -112.770
tors. eta vs tors. theta energy: -220.289
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: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2571.180098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.180098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.563848 (E_RNA)
where:
Base-Base interactions energy: -1767.044
where: short stacking energy: -765.565
Base-Backbone interact. energy: -0.188
local terms energy: -807.331722
where:
bonds (distance) C4'-P energy: -154.494
bonds (distance) P-C4' energy: -150.288
flat angles C4'-P-C4' energy: -166.630
flat angles P-C4'-P energy: -117.508
tors. eta vs tors. theta energy: -218.412
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2486.091359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.091359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.697202 (E_RNA)
where:
Base-Base interactions energy: -1706.339
where: short stacking energy: -710.234
Base-Backbone interact. energy: -2.780
local terms energy: -778.579091
where:
bonds (distance) C4'-P energy: -162.392
bonds (distance) P-C4' energy: -147.758
flat angles C4'-P-C4' energy: -163.887
flat angles P-C4'-P energy: -99.215
tors. eta vs tors. theta energy: -205.326
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2321.090994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.090994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.684335 (E_RNA)
where:
Base-Base interactions energy: -1557.247
where: short stacking energy: -684.268
Base-Backbone interact. energy: 0.269
local terms energy: -765.706117
where:
bonds (distance) C4'-P energy: -152.088
bonds (distance) P-C4' energy: -152.286
flat angles C4'-P-C4' energy: -157.247
flat angles P-C4'-P energy: -102.548
tors. eta vs tors. theta energy: -201.538
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: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2264.329922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.329922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.206105 (E_RNA)
where:
Base-Base interactions energy: -1566.006
where: short stacking energy: -665.605
Base-Backbone interact. energy: 0.212
local terms energy: -700.412348
where:
bonds (distance) C4'-P energy: -129.087
bonds (distance) P-C4' energy: -132.929
flat angles C4'-P-C4' energy: -158.326
flat angles P-C4'-P energy: -99.802
tors. eta vs tors. theta energy: -180.267
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: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2149.174316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.174316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.213648 (E_RNA)
where:
Base-Base interactions energy: -1448.048
where: short stacking energy: -631.373
Base-Backbone interact. energy: -3.002
local terms energy: -701.163229
where:
bonds (distance) C4'-P energy: -154.194
bonds (distance) P-C4' energy: -127.563
flat angles C4'-P-C4' energy: -160.046
flat angles P-C4'-P energy: -83.381
tors. eta vs tors. theta energy: -175.979
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1984.268428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.268428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.072950 (E_RNA)
where:
Base-Base interactions energy: -1343.278
where: short stacking energy: -564.153
Base-Backbone interact. energy: 1.438
local terms energy: -645.232732
where:
bonds (distance) C4'-P energy: -127.300
bonds (distance) P-C4' energy: -138.684
flat angles C4'-P-C4' energy: -153.488
flat angles P-C4'-P energy: -90.890
tors. eta vs tors. theta energy: -134.872
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: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1982.103670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.103670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.266467 (E_RNA)
where:
Base-Base interactions energy: -1342.219
where: short stacking energy: -571.673
Base-Backbone interact. energy: -3.969
local terms energy: -639.079108
where:
bonds (distance) C4'-P energy: -133.431
bonds (distance) P-C4' energy: -134.640
flat angles C4'-P-C4' energy: -152.267
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -140.199
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: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1799.241288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.241288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.068625 (E_RNA)
where:
Base-Base interactions energy: -1207.216
where: short stacking energy: -529.434
Base-Backbone interact. energy: 0.669
local terms energy: -598.521336
where:
bonds (distance) C4'-P energy: -123.318
bonds (distance) P-C4' energy: -122.874
flat angles C4'-P-C4' energy: -144.462
flat angles P-C4'-P energy: -83.974
tors. eta vs tors. theta energy: -123.893
Dist. restrs. and SS energy: 5.827 (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: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2907.629770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.629770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.546995 (E_RNA)
where:
Base-Base interactions energy: -2054.991
where: short stacking energy: -840.481
Base-Backbone interact. energy: -2.101
local terms energy: -851.454526
where:
bonds (distance) C4'-P energy: -143.908
bonds (distance) P-C4' energy: -163.847
flat angles C4'-P-C4' energy: -182.935
flat angles P-C4'-P energy: -121.877
tors. eta vs tors. theta energy: -238.888
Dist. restrs. and SS energy: 0.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2751.136897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.136897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.620458 (E_RNA)
where:
Base-Base interactions energy: -1916.238
where: short stacking energy: -762.667
Base-Backbone interact. energy: -3.994
local terms energy: -832.388321
where:
bonds (distance) C4'-P energy: -173.078
bonds (distance) P-C4' energy: -159.645
flat angles C4'-P-C4' energy: -174.207
flat angles P-C4'-P energy: -104.954
tors. eta vs tors. theta energy: -220.505
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: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2594.856389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.856389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.608875 (E_RNA)
where:
Base-Base interactions energy: -1798.223
where: short stacking energy: -756.074
Base-Backbone interact. energy: 1.316
local terms energy: -800.702237
where:
bonds (distance) C4'-P energy: -138.845
bonds (distance) P-C4' energy: -164.961
flat angles C4'-P-C4' energy: -169.569
flat angles P-C4'-P energy: -111.160
tors. eta vs tors. theta energy: -216.166
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: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2484.750343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.750343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.969840 (E_RNA)
where:
Base-Base interactions energy: -1705.246
where: short stacking energy: -720.249
Base-Backbone interact. energy: -0.149
local terms energy: -781.574440
where:
bonds (distance) C4'-P energy: -138.062
bonds (distance) P-C4' energy: -150.187
flat angles C4'-P-C4' energy: -172.830
flat angles P-C4'-P energy: -121.190
tors. eta vs tors. theta energy: -199.307
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2313.304489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.304489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.191696 (E_RNA)
where:
Base-Base interactions energy: -1567.290
where: short stacking energy: -696.758
Base-Backbone interact. energy: 3.629
local terms energy: -751.530007
where:
bonds (distance) C4'-P energy: -145.337
bonds (distance) P-C4' energy: -152.387
flat angles C4'-P-C4' energy: -147.616
flat angles P-C4'-P energy: -107.810
tors. eta vs tors. theta energy: -198.380
Dist. restrs. and SS energy: 1.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2220.271913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.271913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.675114 (E_RNA)
where:
Base-Base interactions energy: -1493.335
where: short stacking energy: -638.445
Base-Backbone interact. energy: 3.322
local terms energy: -731.662648
where:
bonds (distance) C4'-P energy: -142.287
bonds (distance) P-C4' energy: -145.483
flat angles C4'-P-C4' energy: -159.145
flat angles P-C4'-P energy: -103.074
tors. eta vs tors. theta energy: -181.674
Dist. restrs. and SS energy: 1.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2110.261309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.261309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.392965 (E_RNA)
where:
Base-Base interactions energy: -1445.795
where: short stacking energy: -648.517
Base-Backbone interact. energy: -0.852
local terms energy: -665.746494
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -107.798
flat angles C4'-P-C4' energy: -154.783
flat angles P-C4'-P energy: -101.538
tors. eta vs tors. theta energy: -159.532
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: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1988.232902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.232902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.793146 (E_RNA)
where:
Base-Base interactions energy: -1346.714
where: short stacking energy: -569.109
Base-Backbone interact. energy: -2.117
local terms energy: -641.961887
where:
bonds (distance) C4'-P energy: -121.636
bonds (distance) P-C4' energy: -127.971
flat angles C4'-P-C4' energy: -159.616
flat angles P-C4'-P energy: -84.127
tors. eta vs tors. theta energy: -148.611
Dist. restrs. and SS energy: 2.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1906.539562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.539562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.020876 (E_RNA)
where:
Base-Base interactions energy: -1280.066
where: short stacking energy: -516.816
Base-Backbone interact. energy: -2.178
local terms energy: -626.777457
where:
bonds (distance) C4'-P energy: -124.492
bonds (distance) P-C4' energy: -143.777
flat angles C4'-P-C4' energy: -138.384
flat angles P-C4'-P energy: -97.387
tors. eta vs tors. theta energy: -122.738
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: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1847.231666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.231666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.014762 (E_RNA)
where:
Base-Base interactions energy: -1240.140
where: short stacking energy: -510.752
Base-Backbone interact. energy: 1.126
local terms energy: -611.001269
where:
bonds (distance) C4'-P energy: -132.074
bonds (distance) P-C4' energy: -144.980
flat angles C4'-P-C4' energy: -132.080
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -105.943
Dist. restrs. and SS energy: 2.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2924.768056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.768056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.940734 (E_RNA)
where:
Base-Base interactions energy: -2071.955
where: short stacking energy: -837.441
Base-Backbone interact. energy: -1.999
local terms energy: -851.987025
where:
bonds (distance) C4'-P energy: -157.874
bonds (distance) P-C4' energy: -155.147
flat angles C4'-P-C4' energy: -180.525
flat angles P-C4'-P energy: -134.040
tors. eta vs tors. theta energy: -224.401
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2705.033045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.033045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.049994 (E_RNA)
where:
Base-Base interactions energy: -1854.368
where: short stacking energy: -814.301
Base-Backbone interact. energy: -2.695
local terms energy: -849.986824
where:
bonds (distance) C4'-P energy: -153.495
bonds (distance) P-C4' energy: -156.605
flat angles C4'-P-C4' energy: -180.218
flat angles P-C4'-P energy: -115.830
tors. eta vs tors. theta energy: -243.839
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2709.385858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.385858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.448410 (E_RNA)
where:
Base-Base interactions energy: -1881.013
where: short stacking energy: -782.212
Base-Backbone interact. energy: 0.871
local terms energy: -831.306455
where:
bonds (distance) C4'-P energy: -162.887
bonds (distance) P-C4' energy: -153.070
flat angles C4'-P-C4' energy: -179.531
flat angles P-C4'-P energy: -120.552
tors. eta vs tors. theta energy: -215.266
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2488.787209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.787209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.007228 (E_RNA)
where:
Base-Base interactions energy: -1715.764
where: short stacking energy: -726.039
Base-Backbone interact. energy: -1.665
local terms energy: -772.577475
where:
bonds (distance) C4'-P energy: -138.436
bonds (distance) P-C4' energy: -165.468
flat angles C4'-P-C4' energy: -169.378
flat angles P-C4'-P energy: -90.457
tors. eta vs tors. theta energy: -208.837
Dist. restrs. and SS energy: 1.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2305.472686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.472686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.947370 (E_RNA)
where:
Base-Base interactions energy: -1542.045
where: short stacking energy: -689.296
Base-Backbone interact. energy: 0.029
local terms energy: -764.931913
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -152.485
flat angles C4'-P-C4' energy: -162.804
flat angles P-C4'-P energy: -119.803
tors. eta vs tors. theta energy: -196.287
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2236.005651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.005651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.374707 (E_RNA)
where:
Base-Base interactions energy: -1532.498
where: short stacking energy: -686.937
Base-Backbone interact. energy: -0.831
local terms energy: -705.045493
where:
bonds (distance) C4'-P energy: -129.299
bonds (distance) P-C4' energy: -134.681
flat angles C4'-P-C4' energy: -153.007
flat angles P-C4'-P energy: -92.890
tors. eta vs tors. theta energy: -195.170
Dist. restrs. and SS energy: 2.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2079.607842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.607842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.649010 (E_RNA)
where:
Base-Base interactions energy: -1411.830
where: short stacking energy: -603.011
Base-Backbone interact. energy: 0.643
local terms energy: -670.461339
where:
bonds (distance) C4'-P energy: -140.689
bonds (distance) P-C4' energy: -115.674
flat angles C4'-P-C4' energy: -157.371
flat angles P-C4'-P energy: -92.998
tors. eta vs tors. theta energy: -163.730
Dist. restrs. and SS energy: 2.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1983.512447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.512447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.560791 (E_RNA)
where:
Base-Base interactions energy: -1327.242
where: short stacking energy: -536.480
Base-Backbone interact. energy: -6.875
local terms energy: -652.444078
where:
bonds (distance) C4'-P energy: -136.709
bonds (distance) P-C4' energy: -147.176
flat angles C4'-P-C4' energy: -154.357
flat angles P-C4'-P energy: -89.899
tors. eta vs tors. theta energy: -124.303
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: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1907.466152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.466152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.961506 (E_RNA)
where:
Base-Base interactions energy: -1293.216
where: short stacking energy: -544.304
Base-Backbone interact. energy: 4.625
local terms energy: -624.369664
where:
bonds (distance) C4'-P energy: -132.460
bonds (distance) P-C4' energy: -139.614
flat angles C4'-P-C4' energy: -134.393
flat angles P-C4'-P energy: -82.271
tors. eta vs tors. theta energy: -135.632
Dist. restrs. and SS energy: 5.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1877.151230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.151230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.535704 (E_RNA)
where:
Base-Base interactions energy: -1274.258
where: short stacking energy: -545.942
Base-Backbone interact. energy: 2.495
local terms energy: -607.771878
where:
bonds (distance) C4'-P energy: -129.794
bonds (distance) P-C4' energy: -129.995
flat angles C4'-P-C4' energy: -149.405
flat angles P-C4'-P energy: -71.036
tors. eta vs tors. theta energy: -127.542
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: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2894.978687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.978687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.304874 (E_RNA)
where:
Base-Base interactions energy: -2015.133
where: short stacking energy: -821.868
Base-Backbone interact. energy: -4.330
local terms energy: -876.841660
where:
bonds (distance) C4'-P energy: -153.228
bonds (distance) P-C4' energy: -156.904
flat angles C4'-P-C4' energy: -192.568
flat angles P-C4'-P energy: -125.780
tors. eta vs tors. theta energy: -248.361
Dist. restrs. and SS energy: 1.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2686.747181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.747181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.126276 (E_RNA)
where:
Base-Base interactions energy: -1826.842
where: short stacking energy: -802.126
Base-Backbone interact. energy: -3.138
local terms energy: -858.146701
where:
bonds (distance) C4'-P energy: -155.343
bonds (distance) P-C4' energy: -160.391
flat angles C4'-P-C4' energy: -183.631
flat angles P-C4'-P energy: -130.375
tors. eta vs tors. theta energy: -228.407
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: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2672.325609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.325609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.359388 (E_RNA)
where:
Base-Base interactions energy: -1855.471
where: short stacking energy: -776.053
Base-Backbone interact. energy: -0.169
local terms energy: -817.719438
where:
bonds (distance) C4'-P energy: -159.526
bonds (distance) P-C4' energy: -149.693
flat angles C4'-P-C4' energy: -176.617
flat angles P-C4'-P energy: -115.790
tors. eta vs tors. theta energy: -216.093
Dist. restrs. and SS energy: 1.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2470.991914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.991914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.947727 (E_RNA)
where:
Base-Base interactions energy: -1684.532
where: short stacking energy: -715.638
Base-Backbone interact. energy: -5.606
local terms energy: -782.809674
where:
bonds (distance) C4'-P energy: -128.710
bonds (distance) P-C4' energy: -157.521
flat angles C4'-P-C4' energy: -171.950
flat angles P-C4'-P energy: -122.166
tors. eta vs tors. theta energy: -202.463
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: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2292.052657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.052657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.535484 (E_RNA)
where:
Base-Base interactions energy: -1541.845
where: short stacking energy: -665.188
Base-Backbone interact. energy: -3.070
local terms energy: -748.619995
where:
bonds (distance) C4'-P energy: -148.671
bonds (distance) P-C4' energy: -161.613
flat angles C4'-P-C4' energy: -163.296
flat angles P-C4'-P energy: -92.772
tors. eta vs tors. theta energy: -182.268
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2221.455558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.455558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.336446 (E_RNA)
where:
Base-Base interactions energy: -1509.708
where: short stacking energy: -645.718
Base-Backbone interact. energy: -1.043
local terms energy: -713.585349
where:
bonds (distance) C4'-P energy: -129.111
bonds (distance) P-C4' energy: -139.926
flat angles C4'-P-C4' energy: -156.761
flat angles P-C4'-P energy: -107.471
tors. eta vs tors. theta energy: -180.317
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: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2105.600261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.600261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.001611 (E_RNA)
where:
Base-Base interactions energy: -1429.709
where: short stacking energy: -641.936
Base-Backbone interact. energy: 0.293
local terms energy: -678.585420
where:
bonds (distance) C4'-P energy: -129.128
bonds (distance) P-C4' energy: -128.185
flat angles C4'-P-C4' energy: -144.817
flat angles P-C4'-P energy: -102.859
tors. eta vs tors. theta energy: -173.596
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: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2039.286295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.286295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.511960 (E_RNA)
where:
Base-Base interactions energy: -1397.185
where: short stacking energy: -588.099
Base-Backbone interact. energy: 2.120
local terms energy: -646.447452
where:
bonds (distance) C4'-P energy: -104.801
bonds (distance) P-C4' energy: -127.291
flat angles C4'-P-C4' energy: -160.027
flat angles P-C4'-P energy: -106.884
tors. eta vs tors. theta energy: -147.446
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1933.419805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.419805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.915948 (E_RNA)
where:
Base-Base interactions energy: -1307.479
where: short stacking energy: -543.686
Base-Backbone interact. energy: -0.459
local terms energy: -628.978373
where:
bonds (distance) C4'-P energy: -139.264
bonds (distance) P-C4' energy: -111.327
flat angles C4'-P-C4' energy: -152.788
flat angles P-C4'-P energy: -83.634
tors. eta vs tors. theta energy: -141.966
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: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1828.026831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.026831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.852552 (E_RNA)
where:
Base-Base interactions energy: -1238.698
where: short stacking energy: -486.793
Base-Backbone interact. energy: 0.477
local terms energy: -596.631486
where:
bonds (distance) C4'-P energy: -123.293
bonds (distance) P-C4' energy: -134.358
flat angles C4'-P-C4' energy: -128.996
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -135.206
Dist. restrs. and SS energy: 6.826 (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: 173
Temperature: 0.900000
Total energy: -2927.071385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.071385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.450930 (E_RNA)
where:
Base-Base interactions energy: -2029.090
where: short stacking energy: -842.968
Base-Backbone interact. energy: -5.094
local terms energy: -894.267405
where:
bonds (distance) C4'-P energy: -154.222
bonds (distance) P-C4' energy: -168.225
flat angles C4'-P-C4' energy: -196.561
flat angles P-C4'-P energy: -130.121
tors. eta vs tors. theta energy: -245.137
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2656.739814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.739814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.234954 (E_RNA)
where:
Base-Base interactions energy: -1812.169
where: short stacking energy: -756.897
Base-Backbone interact. energy: -0.623
local terms energy: -846.442964
where:
bonds (distance) C4'-P energy: -163.975
bonds (distance) P-C4' energy: -162.289
flat angles C4'-P-C4' energy: -173.655
flat angles P-C4'-P energy: -123.346
tors. eta vs tors. theta energy: -223.180
Dist. restrs. and SS energy: 2.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2692.457401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.457401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.762284 (E_RNA)
where:
Base-Base interactions energy: -1901.451
where: short stacking energy: -774.423
Base-Backbone interact. energy: -1.058
local terms energy: -791.253338
where:
bonds (distance) C4'-P energy: -136.481
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -175.783
flat angles P-C4'-P energy: -111.472
tors. eta vs tors. theta energy: -225.853
Dist. restrs. and SS energy: 1.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2478.960254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.960254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.510527 (E_RNA)
where:
Base-Base interactions energy: -1699.266
where: short stacking energy: -707.079
Base-Backbone interact. energy: -1.831
local terms energy: -780.413162
where:
bonds (distance) C4'-P energy: -154.569
bonds (distance) P-C4' energy: -139.039
flat angles C4'-P-C4' energy: -176.810
flat angles P-C4'-P energy: -105.426
tors. eta vs tors. theta energy: -204.569
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: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2310.023573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.023573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.590912 (E_RNA)
where:
Base-Base interactions energy: -1545.529
where: short stacking energy: -699.156
Base-Backbone interact. energy: -1.126
local terms energy: -764.935587
where:
bonds (distance) C4'-P energy: -119.614
bonds (distance) P-C4' energy: -160.554
flat angles C4'-P-C4' energy: -169.312
flat angles P-C4'-P energy: -113.749
tors. eta vs tors. theta energy: -201.706
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: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2266.503823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.503823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.343749 (E_RNA)
where:
Base-Base interactions energy: -1553.323
where: short stacking energy: -650.422
Base-Backbone interact. energy: -3.163
local terms energy: -712.857476
where:
bonds (distance) C4'-P energy: -118.201
bonds (distance) P-C4' energy: -142.342
flat angles C4'-P-C4' energy: -146.634
flat angles P-C4'-P energy: -108.637
tors. eta vs tors. theta energy: -197.045
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: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2121.176779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.176779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.883283 (E_RNA)
where:
Base-Base interactions energy: -1443.391
where: short stacking energy: -623.283
Base-Backbone interact. energy: 4.625
local terms energy: -684.116678
where:
bonds (distance) C4'-P energy: -139.934
bonds (distance) P-C4' energy: -133.682
flat angles C4'-P-C4' energy: -151.353
flat angles P-C4'-P energy: -106.912
tors. eta vs tors. theta energy: -152.235
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: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2038.386991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.386991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.351383 (E_RNA)
where:
Base-Base interactions energy: -1379.150
where: short stacking energy: -593.430
Base-Backbone interact. energy: 9.943
local terms energy: -671.144436
where:
bonds (distance) C4'-P energy: -128.976
bonds (distance) P-C4' energy: -128.914
flat angles C4'-P-C4' energy: -166.679
flat angles P-C4'-P energy: -87.850
tors. eta vs tors. theta energy: -158.726
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: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1985.157726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.157726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.870346 (E_RNA)
where:
Base-Base interactions energy: -1348.372
where: short stacking energy: -592.866
Base-Backbone interact. energy: 2.202
local terms energy: -641.700779
where:
bonds (distance) C4'-P energy: -110.582
bonds (distance) P-C4' energy: -152.197
flat angles C4'-P-C4' energy: -141.724
flat angles P-C4'-P energy: -96.237
tors. eta vs tors. theta energy: -140.961
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: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1843.998730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.998730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.871092 (E_RNA)
where:
Base-Base interactions energy: -1246.251
where: short stacking energy: -524.725
Base-Backbone interact. energy: -0.154
local terms energy: -603.466668
where:
bonds (distance) C4'-P energy: -131.513
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -128.621
flat angles P-C4'-P energy: -90.391
tors. eta vs tors. theta energy: -124.867
Dist. restrs. and SS energy: 5.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2858.918125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.918125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.479613 (E_RNA)
where:
Base-Base interactions energy: -1973.876
where: short stacking energy: -834.761
Base-Backbone interact. energy: -3.834
local terms energy: -882.769418
where:
bonds (distance) C4'-P energy: -160.636
bonds (distance) P-C4' energy: -167.556
flat angles C4'-P-C4' energy: -180.599
flat angles P-C4'-P energy: -131.956
tors. eta vs tors. theta energy: -242.022
Dist. restrs. and SS energy: 1.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2653.976845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.976845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.974334 (E_RNA)
where:
Base-Base interactions energy: -1818.518
where: short stacking energy: -761.644
Base-Backbone interact. energy: -4.401
local terms energy: -833.055489
where:
bonds (distance) C4'-P energy: -155.397
bonds (distance) P-C4' energy: -154.486
flat angles C4'-P-C4' energy: -182.975
flat angles P-C4'-P energy: -112.937
tors. eta vs tors. theta energy: -227.261
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: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2669.328142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.328142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.315086 (E_RNA)
where:
Base-Base interactions energy: -1850.091
where: short stacking energy: -754.978
Base-Backbone interact. energy: -3.595
local terms energy: -817.629543
where:
bonds (distance) C4'-P energy: -163.374
bonds (distance) P-C4' energy: -159.388
flat angles C4'-P-C4' energy: -172.827
flat angles P-C4'-P energy: -113.844
tors. eta vs tors. theta energy: -208.196
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2493.864685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.864685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.687723 (E_RNA)
where:
Base-Base interactions energy: -1700.438
where: short stacking energy: -729.844
Base-Backbone interact. energy: 0.466
local terms energy: -795.715823
where:
bonds (distance) C4'-P energy: -154.889
bonds (distance) P-C4' energy: -138.938
flat angles C4'-P-C4' energy: -174.220
flat angles P-C4'-P energy: -109.230
tors. eta vs tors. theta energy: -218.439
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: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2376.242958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.242958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.039741 (E_RNA)
where:
Base-Base interactions energy: -1638.750
where: short stacking energy: -705.953
Base-Backbone interact. energy: 2.175
local terms energy: -741.464745
where:
bonds (distance) C4'-P energy: -124.206
bonds (distance) P-C4' energy: -146.000
flat angles C4'-P-C4' energy: -160.596
flat angles P-C4'-P energy: -113.915
tors. eta vs tors. theta energy: -196.748
Dist. restrs. and SS energy: 1.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2303.587873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.587873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.288516 (E_RNA)
where:
Base-Base interactions energy: -1541.060
where: short stacking energy: -670.404
Base-Backbone interact. energy: 1.194
local terms energy: -766.422592
where:
bonds (distance) C4'-P energy: -149.211
bonds (distance) P-C4' energy: -145.476
flat angles C4'-P-C4' energy: -154.133
flat angles P-C4'-P energy: -115.869
tors. eta vs tors. theta energy: -201.733
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: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2111.543694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.543694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.275542 (E_RNA)
where:
Base-Base interactions energy: -1433.863
where: short stacking energy: -619.840
Base-Backbone interact. energy: -1.715
local terms energy: -678.697820
where:
bonds (distance) C4'-P energy: -123.127
bonds (distance) P-C4' energy: -138.140
flat angles C4'-P-C4' energy: -145.507
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -183.746
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: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2018.448928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.448928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.277193 (E_RNA)
where:
Base-Base interactions energy: -1364.593
where: short stacking energy: -557.111
Base-Backbone interact. energy: -3.459
local terms energy: -652.225315
where:
bonds (distance) C4'-P energy: -119.980
bonds (distance) P-C4' energy: -139.636
flat angles C4'-P-C4' energy: -154.237
flat angles P-C4'-P energy: -98.023
tors. eta vs tors. theta energy: -140.350
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1928.695887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.695887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.078207 (E_RNA)
where:
Base-Base interactions energy: -1274.302
where: short stacking energy: -520.057
Base-Backbone interact. energy: -0.932
local terms energy: -658.844276
where:
bonds (distance) C4'-P energy: -121.152
bonds (distance) P-C4' energy: -149.006
flat angles C4'-P-C4' energy: -128.557
flat angles P-C4'-P energy: -100.268
tors. eta vs tors. theta energy: -159.862
Dist. restrs. and SS energy: 5.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1793.826940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.826940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.559336 (E_RNA)
where:
Base-Base interactions energy: -1222.884
where: short stacking energy: -495.229
Base-Backbone interact. energy: -0.639
local terms energy: -575.036003
where:
bonds (distance) C4'-P energy: -124.978
bonds (distance) P-C4' energy: -119.873
flat angles C4'-P-C4' energy: -137.984
flat angles P-C4'-P energy: -76.586
tors. eta vs tors. theta energy: -115.615
Dist. restrs. and SS energy: 4.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2905.474601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.474601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.230041 (E_RNA)
where:
Base-Base interactions energy: -2054.430
where: short stacking energy: -867.811
Base-Backbone interact. energy: -3.886
local terms energy: -848.913941
where:
bonds (distance) C4'-P energy: -148.307
bonds (distance) P-C4' energy: -161.482
flat angles C4'-P-C4' energy: -173.630
flat angles P-C4'-P energy: -126.135
tors. eta vs tors. theta energy: -239.359
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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2683.710112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.710112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.667355 (E_RNA)
where:
Base-Base interactions energy: -1858.990
where: short stacking energy: -782.491
Base-Backbone interact. energy: 1.931
local terms energy: -827.608521
where:
bonds (distance) C4'-P energy: -154.580
bonds (distance) P-C4' energy: -143.431
flat angles C4'-P-C4' energy: -181.573
flat angles P-C4'-P energy: -126.365
tors. eta vs tors. theta energy: -221.659
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2681.804057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.804057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.555743 (E_RNA)
where:
Base-Base interactions energy: -1883.027
where: short stacking energy: -785.792
Base-Backbone interact. energy: 3.299
local terms energy: -803.827893
where:
bonds (distance) C4'-P energy: -151.364
bonds (distance) P-C4' energy: -147.312
flat angles C4'-P-C4' energy: -180.671
flat angles P-C4'-P energy: -106.612
tors. eta vs tors. theta energy: -217.869
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2504.184981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.184981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.241534 (E_RNA)
where:
Base-Base interactions energy: -1699.700
where: short stacking energy: -727.691
Base-Backbone interact. energy: -2.939
local terms energy: -802.602474
where:
bonds (distance) C4'-P energy: -151.551
bonds (distance) P-C4' energy: -158.027
flat angles C4'-P-C4' energy: -169.280
flat angles P-C4'-P energy: -109.736
tors. eta vs tors. theta energy: -214.009
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: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2340.509410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.509410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.016220 (E_RNA)
where:
Base-Base interactions energy: -1598.535
where: short stacking energy: -696.210
Base-Backbone interact. energy: -0.057
local terms energy: -744.424058
where:
bonds (distance) C4'-P energy: -128.315
bonds (distance) P-C4' energy: -142.247
flat angles C4'-P-C4' energy: -158.397
flat angles P-C4'-P energy: -109.112
tors. eta vs tors. theta energy: -206.352
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: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2189.773300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.773300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.581309 (E_RNA)
where:
Base-Base interactions energy: -1448.898
where: short stacking energy: -620.419
Base-Backbone interact. energy: -2.287
local terms energy: -740.397149
where:
bonds (distance) C4'-P energy: -138.555
bonds (distance) P-C4' energy: -147.176
flat angles C4'-P-C4' energy: -167.478
flat angles P-C4'-P energy: -114.065
tors. eta vs tors. theta energy: -173.124
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2207.404620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.404620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.955341 (E_RNA)
where:
Base-Base interactions energy: -1519.947
where: short stacking energy: -648.177
Base-Backbone interact. energy: 5.686
local terms energy: -696.694126
where:
bonds (distance) C4'-P energy: -115.605
bonds (distance) P-C4' energy: -143.861
flat angles C4'-P-C4' energy: -171.148
flat angles P-C4'-P energy: -96.637
tors. eta vs tors. theta energy: -169.443
Dist. restrs. and SS energy: 3.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1966.736370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.736370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.456922 (E_RNA)
where:
Base-Base interactions energy: -1343.052
where: short stacking energy: -566.187
Base-Backbone interact. energy: 2.288
local terms energy: -629.692618
where:
bonds (distance) C4'-P energy: -123.169
bonds (distance) P-C4' energy: -140.035
flat angles C4'-P-C4' energy: -156.382
flat angles P-C4'-P energy: -80.644
tors. eta vs tors. theta energy: -129.462
Dist. restrs. and SS energy: 3.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1939.530327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.530327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.134642 (E_RNA)
where:
Base-Base interactions energy: -1298.883
where: short stacking energy: -574.710
Base-Backbone interact. energy: -3.973
local terms energy: -640.278336
where:
bonds (distance) C4'-P energy: -102.976
bonds (distance) P-C4' energy: -135.404
flat angles C4'-P-C4' energy: -135.899
flat angles P-C4'-P energy: -109.393
tors. eta vs tors. theta energy: -156.607
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: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1803.961258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.961258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.065718 (E_RNA)
where:
Base-Base interactions energy: -1245.746
where: short stacking energy: -510.973
Base-Backbone interact. energy: 3.144
local terms energy: -571.463711
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -121.623
flat angles C4'-P-C4' energy: -129.915
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -105.888
Dist. restrs. and SS energy: 10.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2866.813462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.813462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.675368 (E_RNA)
where:
Base-Base interactions energy: -1968.973
where: short stacking energy: -820.979
Base-Backbone interact. energy: -3.800
local terms energy: -896.902171
where:
bonds (distance) C4'-P energy: -180.438
bonds (distance) P-C4' energy: -159.903
flat angles C4'-P-C4' energy: -190.855
flat angles P-C4'-P energy: -127.897
tors. eta vs tors. theta energy: -237.809
Dist. restrs. and SS energy: 2.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2657.168600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.168600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.204963 (E_RNA)
where:
Base-Base interactions energy: -1839.074
where: short stacking energy: -771.830
Base-Backbone interact. energy: -3.108
local terms energy: -816.022511
where:
bonds (distance) C4'-P energy: -158.342
bonds (distance) P-C4' energy: -152.753
flat angles C4'-P-C4' energy: -171.441
flat angles P-C4'-P energy: -118.239
tors. eta vs tors. theta energy: -215.247
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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2653.732389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.732389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.124062 (E_RNA)
where:
Base-Base interactions energy: -1819.732
where: short stacking energy: -764.507
Base-Backbone interact. energy: -1.198
local terms energy: -834.194411
where:
bonds (distance) C4'-P energy: -162.319
bonds (distance) P-C4' energy: -169.497
flat angles C4'-P-C4' energy: -174.741
flat angles P-C4'-P energy: -117.813
tors. eta vs tors. theta energy: -209.825
Dist. restrs. and SS energy: 1.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2505.460727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.460727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.485178 (E_RNA)
where:
Base-Base interactions energy: -1696.128
where: short stacking energy: -746.408
Base-Backbone interact. energy: 1.692
local terms energy: -813.049702
where:
bonds (distance) C4'-P energy: -155.399
bonds (distance) P-C4' energy: -152.531
flat angles C4'-P-C4' energy: -174.206
flat angles P-C4'-P energy: -121.964
tors. eta vs tors. theta energy: -208.950
Dist. restrs. and SS energy: 2.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2287.594668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.594668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.178254 (E_RNA)
where:
Base-Base interactions energy: -1531.060
where: short stacking energy: -683.810
Base-Backbone interact. energy: 6.630
local terms energy: -765.748887
where:
bonds (distance) C4'-P energy: -142.879
bonds (distance) P-C4' energy: -155.165
flat angles C4'-P-C4' energy: -167.897
flat angles P-C4'-P energy: -99.033
tors. eta vs tors. theta energy: -200.776
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: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2178.864107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.864107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.566279 (E_RNA)
where:
Base-Base interactions energy: -1440.172
where: short stacking energy: -630.429
Base-Backbone interact. energy: -0.821
local terms energy: -739.574030
where:
bonds (distance) C4'-P energy: -139.076
bonds (distance) P-C4' energy: -141.986
flat angles C4'-P-C4' energy: -167.075
flat angles P-C4'-P energy: -106.905
tors. eta vs tors. theta energy: -184.532
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2180.863465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.863465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.481098 (E_RNA)
where:
Base-Base interactions energy: -1499.797
where: short stacking energy: -624.963
Base-Backbone interact. energy: 8.909
local terms energy: -692.593525
where:
bonds (distance) C4'-P energy: -137.169
bonds (distance) P-C4' energy: -142.496
flat angles C4'-P-C4' energy: -155.968
flat angles P-C4'-P energy: -85.440
tors. eta vs tors. theta energy: -171.520
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: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1988.974507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.974507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.547150 (E_RNA)
where:
Base-Base interactions energy: -1371.054
where: short stacking energy: -589.498
Base-Backbone interact. energy: 0.520
local terms energy: -621.013446
where:
bonds (distance) C4'-P energy: -124.519
bonds (distance) P-C4' energy: -104.390
flat angles C4'-P-C4' energy: -148.343
flat angles P-C4'-P energy: -88.165
tors. eta vs tors. theta energy: -155.597
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: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1908.840247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.840247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.101820 (E_RNA)
where:
Base-Base interactions energy: -1302.621
where: short stacking energy: -555.373
Base-Backbone interact. energy: -1.394
local terms energy: -609.086183
where:
bonds (distance) C4'-P energy: -108.203
bonds (distance) P-C4' energy: -139.085
flat angles C4'-P-C4' energy: -135.061
flat angles P-C4'-P energy: -81.417
tors. eta vs tors. theta energy: -145.320
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1898.522221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.522221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.310707 (E_RNA)
where:
Base-Base interactions energy: -1308.671
where: short stacking energy: -531.716
Base-Backbone interact. energy: 1.695
local terms energy: -594.334782
where:
bonds (distance) C4'-P energy: -117.848
bonds (distance) P-C4' energy: -124.426
flat angles C4'-P-C4' energy: -148.981
flat angles P-C4'-P energy: -74.528
tors. eta vs tors. theta energy: -128.552
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: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2875.895312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.895312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.411920 (E_RNA)
where:
Base-Base interactions energy: -2005.601
where: short stacking energy: -844.776
Base-Backbone interact. energy: -5.781
local terms energy: -867.029323
where:
bonds (distance) C4'-P energy: -158.605
bonds (distance) P-C4' energy: -148.158
flat angles C4'-P-C4' energy: -186.703
flat angles P-C4'-P energy: -124.662
tors. eta vs tors. theta energy: -248.902
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: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2667.710129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.710129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.817280 (E_RNA)
where:
Base-Base interactions energy: -1806.173
where: short stacking energy: -781.746
Base-Backbone interact. energy: -0.182
local terms energy: -863.462069
where:
bonds (distance) C4'-P energy: -146.242
bonds (distance) P-C4' energy: -168.431
flat angles C4'-P-C4' energy: -191.780
flat angles P-C4'-P energy: -131.999
tors. eta vs tors. theta energy: -225.011
Dist. restrs. and SS energy: 2.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2656.618830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.618830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.488226 (E_RNA)
where:
Base-Base interactions energy: -1852.060
where: short stacking energy: -770.639
Base-Backbone interact. energy: -2.354
local terms energy: -804.074043
where:
bonds (distance) C4'-P energy: -149.156
bonds (distance) P-C4' energy: -146.461
flat angles C4'-P-C4' energy: -176.810
flat angles P-C4'-P energy: -108.167
tors. eta vs tors. theta energy: -223.480
Dist. restrs. and SS energy: 1.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2450.442568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.442568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.205895 (E_RNA)
where:
Base-Base interactions energy: -1666.962
where: short stacking energy: -716.778
Base-Backbone interact. energy: 2.767
local terms energy: -788.011214
where:
bonds (distance) C4'-P energy: -143.729
bonds (distance) P-C4' energy: -157.415
flat angles C4'-P-C4' energy: -175.736
flat angles P-C4'-P energy: -111.952
tors. eta vs tors. theta energy: -199.180
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: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2297.156257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.156257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.416537 (E_RNA)
where:
Base-Base interactions energy: -1553.824
where: short stacking energy: -662.711
Base-Backbone interact. energy: -0.699
local terms energy: -744.893213
where:
bonds (distance) C4'-P energy: -139.427
bonds (distance) P-C4' energy: -135.700
flat angles C4'-P-C4' energy: -182.379
flat angles P-C4'-P energy: -96.744
tors. eta vs tors. theta energy: -190.642
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: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2285.658864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.658864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.003403 (E_RNA)
where:
Base-Base interactions energy: -1544.173
where: short stacking energy: -638.930
Base-Backbone interact. energy: -2.141
local terms energy: -740.689135
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -140.620
flat angles C4'-P-C4' energy: -174.090
flat angles P-C4'-P energy: -110.897
tors. eta vs tors. theta energy: -182.926
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2111.066823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.066823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.341511 (E_RNA)
where:
Base-Base interactions energy: -1421.732
where: short stacking energy: -609.131
Base-Backbone interact. energy: 1.235
local terms energy: -691.845098
where:
bonds (distance) C4'-P energy: -134.371
bonds (distance) P-C4' energy: -146.892
flat angles C4'-P-C4' energy: -144.407
flat angles P-C4'-P energy: -101.413
tors. eta vs tors. theta energy: -164.763
Dist. restrs. and SS energy: 1.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1966.091008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.091008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.170375 (E_RNA)
where:
Base-Base interactions energy: -1337.264
where: short stacking energy: -561.201
Base-Backbone interact. energy: 7.878
local terms energy: -641.785146
where:
bonds (distance) C4'-P energy: -162.045
bonds (distance) P-C4' energy: -108.969
flat angles C4'-P-C4' energy: -141.981
flat angles P-C4'-P energy: -80.029
tors. eta vs tors. theta energy: -148.761
Dist. restrs. and SS energy: 5.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1976.294497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.294497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.120587 (E_RNA)
where:
Base-Base interactions energy: -1379.394
where: short stacking energy: -561.141
Base-Backbone interact. energy: 4.016
local terms energy: -603.743019
where:
bonds (distance) C4'-P energy: -133.561
bonds (distance) P-C4' energy: -130.196
flat angles C4'-P-C4' energy: -117.280
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -145.920
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: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1853.450246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.450246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.857570 (E_RNA)
where:
Base-Base interactions energy: -1266.344
where: short stacking energy: -510.153
Base-Backbone interact. energy: 5.120
local terms energy: -595.633912
where:
bonds (distance) C4'-P energy: -146.636
bonds (distance) P-C4' energy: -122.948
flat angles C4'-P-C4' energy: -118.917
flat angles P-C4'-P energy: -81.917
tors. eta vs tors. theta energy: -125.215
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: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2866.664452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.664452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.998209 (E_RNA)
where:
Base-Base interactions energy: -1984.838
where: short stacking energy: -851.344
Base-Backbone interact. energy: -4.999
local terms energy: -880.161259
where:
bonds (distance) C4'-P energy: -166.207
bonds (distance) P-C4' energy: -159.762
flat angles C4'-P-C4' energy: -187.641
flat angles P-C4'-P energy: -123.191
tors. eta vs tors. theta energy: -243.360
Dist. restrs. and SS energy: 3.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2663.539239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.539239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.082974 (E_RNA)
where:
Base-Base interactions energy: -1821.730
where: short stacking energy: -768.686
Base-Backbone interact. energy: -1.484
local terms energy: -841.869034
where:
bonds (distance) C4'-P energy: -152.964
bonds (distance) P-C4' energy: -160.915
flat angles C4'-P-C4' energy: -174.045
flat angles P-C4'-P energy: -113.237
tors. eta vs tors. theta energy: -240.708
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2638.331137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.331137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.142937 (E_RNA)
where:
Base-Base interactions energy: -1848.659
where: short stacking energy: -742.508
Base-Backbone interact. energy: -7.530
local terms energy: -783.953646
where:
bonds (distance) C4'-P energy: -138.940
bonds (distance) P-C4' energy: -164.145
flat angles C4'-P-C4' energy: -163.170
flat angles P-C4'-P energy: -106.523
tors. eta vs tors. theta energy: -211.176
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: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2422.387751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.387751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.561961 (E_RNA)
where:
Base-Base interactions energy: -1636.084
where: short stacking energy: -712.871
Base-Backbone interact. energy: 1.591
local terms energy: -790.069025
where:
bonds (distance) C4'-P energy: -158.204
bonds (distance) P-C4' energy: -142.849
flat angles C4'-P-C4' energy: -170.156
flat angles P-C4'-P energy: -107.560
tors. eta vs tors. theta energy: -211.301
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: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2338.659712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.659712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.713996 (E_RNA)
where:
Base-Base interactions energy: -1568.989
where: short stacking energy: -655.518
Base-Backbone interact. energy: -3.652
local terms energy: -768.072715
where:
bonds (distance) C4'-P energy: -145.501
bonds (distance) P-C4' energy: -156.855
flat angles C4'-P-C4' energy: -171.645
flat angles P-C4'-P energy: -120.479
tors. eta vs tors. theta energy: -173.593
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: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2237.065853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.065853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.288159 (E_RNA)
where:
Base-Base interactions energy: -1511.516
where: short stacking energy: -634.610
Base-Backbone interact. energy: -2.721
local terms energy: -725.051371
where:
bonds (distance) C4'-P energy: -133.958
bonds (distance) P-C4' energy: -142.576
flat angles C4'-P-C4' energy: -157.287
flat angles P-C4'-P energy: -96.894
tors. eta vs tors. theta energy: -194.337
Dist. restrs. and SS energy: 2.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2052.971335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.971335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.087393 (E_RNA)
where:
Base-Base interactions energy: -1370.056
where: short stacking energy: -584.676
Base-Backbone interact. energy: -1.927
local terms energy: -683.105374
where:
bonds (distance) C4'-P energy: -144.827
bonds (distance) P-C4' energy: -147.624
flat angles C4'-P-C4' energy: -149.652
flat angles P-C4'-P energy: -95.504
tors. eta vs tors. theta energy: -145.497
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2089.032044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.032044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.673515 (E_RNA)
where:
Base-Base interactions energy: -1436.397
where: short stacking energy: -618.037
Base-Backbone interact. energy: 1.415
local terms energy: -657.691252
where:
bonds (distance) C4'-P energy: -124.440
bonds (distance) P-C4' energy: -107.073
flat angles C4'-P-C4' energy: -157.279
flat angles P-C4'-P energy: -104.767
tors. eta vs tors. theta energy: -164.132
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1940.538109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.538109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.737142 (E_RNA)
where:
Base-Base interactions energy: -1304.905
where: short stacking energy: -548.100
Base-Backbone interact. energy: 0.196
local terms energy: -638.027360
where:
bonds (distance) C4'-P energy: -137.657
bonds (distance) P-C4' energy: -135.112
flat angles C4'-P-C4' energy: -149.028
flat angles P-C4'-P energy: -74.029
tors. eta vs tors. theta energy: -142.201
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: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1882.309455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.309455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.016629 (E_RNA)
where:
Base-Base interactions energy: -1269.739
where: short stacking energy: -525.619
Base-Backbone interact. energy: -3.224
local terms energy: -612.053790
where:
bonds (distance) C4'-P energy: -131.515
bonds (distance) P-C4' energy: -132.607
flat angles C4'-P-C4' energy: -131.781
flat angles P-C4'-P energy: -88.769
tors. eta vs tors. theta energy: -127.381
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: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2858.013615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.013615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.107297 (E_RNA)
where:
Base-Base interactions energy: -1989.942
where: short stacking energy: -823.139
Base-Backbone interact. energy: -0.168
local terms energy: -869.998023
where:
bonds (distance) C4'-P energy: -161.068
bonds (distance) P-C4' energy: -169.428
flat angles C4'-P-C4' energy: -186.575
flat angles P-C4'-P energy: -121.059
tors. eta vs tors. theta energy: -231.868
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: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2776.615663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.615663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.996155 (E_RNA)
where:
Base-Base interactions energy: -1953.720
where: short stacking energy: -796.326
Base-Backbone interact. energy: -1.592
local terms energy: -822.684196
where:
bonds (distance) C4'-P energy: -135.027
bonds (distance) P-C4' energy: -150.889
flat angles C4'-P-C4' energy: -190.716
flat angles P-C4'-P energy: -122.123
tors. eta vs tors. theta energy: -223.929
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2577.649150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.649150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.298837 (E_RNA)
where:
Base-Base interactions energy: -1765.057
where: short stacking energy: -759.636
Base-Backbone interact. energy: -0.070
local terms energy: -815.172183
where:
bonds (distance) C4'-P energy: -144.283
bonds (distance) P-C4' energy: -154.195
flat angles C4'-P-C4' energy: -174.685
flat angles P-C4'-P energy: -119.196
tors. eta vs tors. theta energy: -222.814
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: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2457.377940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.377940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.295344 (E_RNA)
where:
Base-Base interactions energy: -1669.532
where: short stacking energy: -738.059
Base-Backbone interact. energy: 0.891
local terms energy: -790.654617
where:
bonds (distance) C4'-P energy: -139.288
bonds (distance) P-C4' energy: -157.390
flat angles C4'-P-C4' energy: -161.345
flat angles P-C4'-P energy: -117.842
tors. eta vs tors. theta energy: -214.790
Dist. restrs. and SS energy: 1.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2439.744835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.744835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.658581 (E_RNA)
where:
Base-Base interactions energy: -1652.743
where: short stacking energy: -685.646
Base-Backbone interact. energy: -1.269
local terms energy: -787.646803
where:
bonds (distance) C4'-P energy: -147.959
bonds (distance) P-C4' energy: -160.396
flat angles C4'-P-C4' energy: -154.588
flat angles P-C4'-P energy: -105.795
tors. eta vs tors. theta energy: -218.909
Dist. restrs. and SS energy: 1.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2230.043779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.043779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.412248 (E_RNA)
where:
Base-Base interactions energy: -1508.531
where: short stacking energy: -657.752
Base-Backbone interact. energy: 1.535
local terms energy: -724.416059
where:
bonds (distance) C4'-P energy: -122.855
bonds (distance) P-C4' energy: -152.132
flat angles C4'-P-C4' energy: -163.884
flat angles P-C4'-P energy: -100.866
tors. eta vs tors. theta energy: -184.679
Dist. restrs. and SS energy: 1.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2029.210280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.210280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.592571 (E_RNA)
where:
Base-Base interactions energy: -1385.526
where: short stacking energy: -585.137
Base-Backbone interact. energy: 3.984
local terms energy: -649.050092
where:
bonds (distance) C4'-P energy: -97.390
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -151.673
flat angles P-C4'-P energy: -106.675
tors. eta vs tors. theta energy: -154.861
Dist. restrs. and SS energy: 1.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2032.963265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.963265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.005118 (E_RNA)
where:
Base-Base interactions energy: -1366.983
where: short stacking energy: -588.790
Base-Backbone interact. energy: 3.512
local terms energy: -672.534088
where:
bonds (distance) C4'-P energy: -127.348
bonds (distance) P-C4' energy: -124.705
flat angles C4'-P-C4' energy: -158.880
flat angles P-C4'-P energy: -101.013
tors. eta vs tors. theta energy: -160.588
Dist. restrs. and SS energy: 3.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1920.776752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.776752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.278332 (E_RNA)
where:
Base-Base interactions energy: -1294.240
where: short stacking energy: -542.327
Base-Backbone interact. energy: 7.285
local terms energy: -637.323786
where:
bonds (distance) C4'-P energy: -119.061
bonds (distance) P-C4' energy: -136.773
flat angles C4'-P-C4' energy: -154.355
flat angles P-C4'-P energy: -86.412
tors. eta vs tors. theta energy: -140.723
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: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1837.048451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.048451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.378475 (E_RNA)
where:
Base-Base interactions energy: -1262.870
where: short stacking energy: -509.275
Base-Backbone interact. energy: -1.260
local terms energy: -575.248701
where:
bonds (distance) C4'-P energy: -105.394
bonds (distance) P-C4' energy: -139.967
flat angles C4'-P-C4' energy: -119.882
flat angles P-C4'-P energy: -90.999
tors. eta vs tors. theta energy: -119.007
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: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2905.084480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.084480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.074545 (E_RNA)
where:
Base-Base interactions energy: -2010.223
where: short stacking energy: -833.003
Base-Backbone interact. energy: -4.318
local terms energy: -892.533402
where:
bonds (distance) C4'-P energy: -160.042
bonds (distance) P-C4' energy: -171.334
flat angles C4'-P-C4' energy: -187.019
flat angles P-C4'-P energy: -130.069
tors. eta vs tors. theta energy: -244.069
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2755.019428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.019428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.850662 (E_RNA)
where:
Base-Base interactions energy: -1914.796
where: short stacking energy: -784.258
Base-Backbone interact. energy: -6.179
local terms energy: -835.874975
where:
bonds (distance) C4'-P energy: -154.498
bonds (distance) P-C4' energy: -157.980
flat angles C4'-P-C4' energy: -185.218
flat angles P-C4'-P energy: -115.695
tors. eta vs tors. theta energy: -222.484
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2605.685443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.685443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.601939 (E_RNA)
where:
Base-Base interactions energy: -1809.188
where: short stacking energy: -772.858
Base-Backbone interact. energy: 1.314
local terms energy: -799.727692
where:
bonds (distance) C4'-P energy: -129.206
bonds (distance) P-C4' energy: -160.353
flat angles C4'-P-C4' energy: -176.601
flat angles P-C4'-P energy: -107.531
tors. eta vs tors. theta energy: -226.037
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: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2440.566062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.566062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.121111 (E_RNA)
where:
Base-Base interactions energy: -1651.318
where: short stacking energy: -709.390
Base-Backbone interact. energy: -2.569
local terms energy: -788.234371
where:
bonds (distance) C4'-P energy: -135.905
bonds (distance) P-C4' energy: -151.079
flat angles C4'-P-C4' energy: -180.638
flat angles P-C4'-P energy: -108.887
tors. eta vs tors. theta energy: -211.725
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2447.631338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.631338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.044468 (E_RNA)
where:
Base-Base interactions energy: -1683.830
where: short stacking energy: -726.349
Base-Backbone interact. energy: 1.224
local terms energy: -767.439343
where:
bonds (distance) C4'-P energy: -143.600
bonds (distance) P-C4' energy: -147.949
flat angles C4'-P-C4' energy: -163.188
flat angles P-C4'-P energy: -95.404
tors. eta vs tors. theta energy: -217.298
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2233.385818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.385818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.071364 (E_RNA)
where:
Base-Base interactions energy: -1507.852
where: short stacking energy: -653.427
Base-Backbone interact. energy: -2.446
local terms energy: -724.772715
where:
bonds (distance) C4'-P energy: -132.985
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -156.401
flat angles P-C4'-P energy: -109.900
tors. eta vs tors. theta energy: -191.813
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: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2116.173604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.173604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.348383 (E_RNA)
where:
Base-Base interactions energy: -1391.769
where: short stacking energy: -621.697
Base-Backbone interact. energy: -1.509
local terms energy: -725.071046
where:
bonds (distance) C4'-P energy: -141.517
bonds (distance) P-C4' energy: -137.716
flat angles C4'-P-C4' energy: -157.526
flat angles P-C4'-P energy: -116.304
tors. eta vs tors. theta energy: -172.009
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: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1949.773043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.773043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.878422 (E_RNA)
where:
Base-Base interactions energy: -1305.384
where: short stacking energy: -535.235
Base-Backbone interact. energy: 1.425
local terms energy: -650.919635
where:
bonds (distance) C4'-P energy: -125.955
bonds (distance) P-C4' energy: -147.877
flat angles C4'-P-C4' energy: -150.838
flat angles P-C4'-P energy: -83.634
tors. eta vs tors. theta energy: -142.615
Dist. restrs. and SS energy: 5.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1893.647188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.647188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.757820 (E_RNA)
where:
Base-Base interactions energy: -1298.590
where: short stacking energy: -540.318
Base-Backbone interact. energy: -2.667
local terms energy: -596.500834
where:
bonds (distance) C4'-P energy: -117.657
bonds (distance) P-C4' energy: -119.686
flat angles C4'-P-C4' energy: -147.992
flat angles P-C4'-P energy: -80.112
tors. eta vs tors. theta energy: -131.055
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: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1813.389159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.389159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.852955 (E_RNA)
where:
Base-Base interactions energy: -1249.582
where: short stacking energy: -526.497
Base-Backbone interact. energy: 5.225
local terms energy: -572.496246
where:
bonds (distance) C4'-P energy: -113.291
bonds (distance) P-C4' energy: -130.218
flat angles C4'-P-C4' energy: -125.283
flat angles P-C4'-P energy: -61.185
tors. eta vs tors. theta energy: -142.518
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: 181
Temperature: 0.900000
Total energy: -2881.624496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.624496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.039156 (E_RNA)
where:
Base-Base interactions energy: -2002.476
where: short stacking energy: -822.779
Base-Backbone interact. energy: -1.856
local terms energy: -879.707518
where:
bonds (distance) C4'-P energy: -149.509
bonds (distance) P-C4' energy: -167.347
flat angles C4'-P-C4' energy: -182.087
flat angles P-C4'-P energy: -134.508
tors. eta vs tors. theta energy: -246.257
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: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2783.516734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.516734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.841434 (E_RNA)
where:
Base-Base interactions energy: -1961.162
where: short stacking energy: -782.281
Base-Backbone interact. energy: -2.470
local terms energy: -822.209443
where:
bonds (distance) C4'-P energy: -128.139
bonds (distance) P-C4' energy: -170.070
flat angles C4'-P-C4' energy: -178.861
flat angles P-C4'-P energy: -115.008
tors. eta vs tors. theta energy: -230.132
Dist. restrs. and SS energy: 2.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2585.560426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.560426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.038865 (E_RNA)
where:
Base-Base interactions energy: -1765.264
where: short stacking energy: -757.332
Base-Backbone interact. energy: 1.252
local terms energy: -822.027394
where:
bonds (distance) C4'-P energy: -152.506
bonds (distance) P-C4' energy: -152.890
flat angles C4'-P-C4' energy: -177.625
flat angles P-C4'-P energy: -118.879
tors. eta vs tors. theta energy: -220.128
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2471.333233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.333233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.771935 (E_RNA)
where:
Base-Base interactions energy: -1699.971
where: short stacking energy: -709.508
Base-Backbone interact. energy: 1.437
local terms energy: -774.237562
where:
bonds (distance) C4'-P energy: -142.164
bonds (distance) P-C4' energy: -143.974
flat angles C4'-P-C4' energy: -162.894
flat angles P-C4'-P energy: -98.349
tors. eta vs tors. theta energy: -226.857
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: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2419.313937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.313937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.541740 (E_RNA)
where:
Base-Base interactions energy: -1686.833
where: short stacking energy: -684.433
Base-Backbone interact. energy: -3.140
local terms energy: -731.568551
where:
bonds (distance) C4'-P energy: -145.175
bonds (distance) P-C4' energy: -132.933
flat angles C4'-P-C4' energy: -152.078
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -198.273
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: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2219.822909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.822909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.191226 (E_RNA)
where:
Base-Base interactions energy: -1486.795
where: short stacking energy: -650.982
Base-Backbone interact. energy: 0.160
local terms energy: -735.555894
where:
bonds (distance) C4'-P energy: -136.891
bonds (distance) P-C4' energy: -152.946
flat angles C4'-P-C4' energy: -160.164
flat angles P-C4'-P energy: -92.407
tors. eta vs tors. theta energy: -193.147
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2206.420244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.420244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.763005 (E_RNA)
where:
Base-Base interactions energy: -1460.307
where: short stacking energy: -626.637
Base-Backbone interact. energy: -3.278
local terms energy: -745.178877
where:
bonds (distance) C4'-P energy: -134.495
bonds (distance) P-C4' energy: -146.037
flat angles C4'-P-C4' energy: -173.397
flat angles P-C4'-P energy: -102.263
tors. eta vs tors. theta energy: -188.986
Dist. restrs. and SS energy: 2.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1972.828136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.828136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.887720 (E_RNA)
where:
Base-Base interactions energy: -1340.005
where: short stacking energy: -567.244
Base-Backbone interact. energy: -1.877
local terms energy: -634.005803
where:
bonds (distance) C4'-P energy: -135.663
bonds (distance) P-C4' energy: -136.434
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -77.505
tors. eta vs tors. theta energy: -132.739
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1900.275623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.275623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.641685 (E_RNA)
where:
Base-Base interactions energy: -1310.699
where: short stacking energy: -545.067
Base-Backbone interact. energy: 5.127
local terms energy: -596.069412
where:
bonds (distance) C4'-P energy: -129.580
bonds (distance) P-C4' energy: -137.064
flat angles C4'-P-C4' energy: -118.754
flat angles P-C4'-P energy: -85.805
tors. eta vs tors. theta energy: -124.865
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: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1806.765011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.765011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.664077 (E_RNA)
where:
Base-Base interactions energy: -1215.072
where: short stacking energy: -498.861
Base-Backbone interact. energy: -2.306
local terms energy: -598.285399
where:
bonds (distance) C4'-P energy: -126.684
bonds (distance) P-C4' energy: -118.473
flat angles C4'-P-C4' energy: -141.433
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -124.505
Dist. restrs. and SS energy: 8.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2882.149823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.149823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.212551 (E_RNA)
where:
Base-Base interactions energy: -2006.305
where: short stacking energy: -835.892
Base-Backbone interact. energy: 0.517
local terms energy: -878.425127
where:
bonds (distance) C4'-P energy: -162.552
bonds (distance) P-C4' energy: -160.365
flat angles C4'-P-C4' energy: -184.698
flat angles P-C4'-P energy: -134.425
tors. eta vs tors. theta energy: -236.385
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2787.241300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.241300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.198777 (E_RNA)
where:
Base-Base interactions energy: -1935.330
where: short stacking energy: -806.773
Base-Backbone interact. energy: -0.330
local terms energy: -853.538383
where:
bonds (distance) C4'-P energy: -164.323
bonds (distance) P-C4' energy: -167.247
flat angles C4'-P-C4' energy: -168.763
flat angles P-C4'-P energy: -112.539
tors. eta vs tors. theta energy: -240.665
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: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2577.614625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.614625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.378378 (E_RNA)
where:
Base-Base interactions energy: -1750.086
where: short stacking energy: -790.494
Base-Backbone interact. energy: -1.090
local terms energy: -828.202526
where:
bonds (distance) C4'-P energy: -147.294
bonds (distance) P-C4' energy: -165.711
flat angles C4'-P-C4' energy: -175.220
flat angles P-C4'-P energy: -113.146
tors. eta vs tors. theta energy: -226.832
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: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2424.336060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.336060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.039972 (E_RNA)
where:
Base-Base interactions energy: -1659.865
where: short stacking energy: -727.464
Base-Backbone interact. energy: -1.209
local terms energy: -764.965211
where:
bonds (distance) C4'-P energy: -147.739
bonds (distance) P-C4' energy: -139.525
flat angles C4'-P-C4' energy: -169.327
flat angles P-C4'-P energy: -107.042
tors. eta vs tors. theta energy: -201.332
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2454.106554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.106554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.596990 (E_RNA)
where:
Base-Base interactions energy: -1692.402
where: short stacking energy: -726.478
Base-Backbone interact. energy: 3.484
local terms energy: -766.679657
where:
bonds (distance) C4'-P energy: -135.842
bonds (distance) P-C4' energy: -147.469
flat angles C4'-P-C4' energy: -163.101
flat angles P-C4'-P energy: -102.163
tors. eta vs tors. theta energy: -218.105
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: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2202.874200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.874200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.938893 (E_RNA)
where:
Base-Base interactions energy: -1491.223
where: short stacking energy: -644.352
Base-Backbone interact. energy: -0.561
local terms energy: -713.154472
where:
bonds (distance) C4'-P energy: -135.341
bonds (distance) P-C4' energy: -130.987
flat angles C4'-P-C4' energy: -164.902
flat angles P-C4'-P energy: -89.313
tors. eta vs tors. theta energy: -192.611
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: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2186.101310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.101310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.499848 (E_RNA)
where:
Base-Base interactions energy: -1472.394
where: short stacking energy: -640.005
Base-Backbone interact. energy: 0.539
local terms energy: -717.644561
where:
bonds (distance) C4'-P energy: -136.094
bonds (distance) P-C4' energy: -146.397
flat angles C4'-P-C4' energy: -145.046
flat angles P-C4'-P energy: -110.762
tors. eta vs tors. theta energy: -179.346
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: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2000.922568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.922568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.592917 (E_RNA)
where:
Base-Base interactions energy: -1355.617
where: short stacking energy: -602.875
Base-Backbone interact. energy: 0.711
local terms energy: -650.687348
where:
bonds (distance) C4'-P energy: -126.788
bonds (distance) P-C4' energy: -124.258
flat angles C4'-P-C4' energy: -150.203
flat angles P-C4'-P energy: -90.321
tors. eta vs tors. theta energy: -159.117
Dist. restrs. and SS energy: 4.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1972.493272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.493272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.290413 (E_RNA)
where:
Base-Base interactions energy: -1356.020
where: short stacking energy: -556.404
Base-Backbone interact. energy: 1.825
local terms energy: -621.094587
where:
bonds (distance) C4'-P energy: -117.165
bonds (distance) P-C4' energy: -123.764
flat angles C4'-P-C4' energy: -153.280
flat angles P-C4'-P energy: -93.168
tors. eta vs tors. theta energy: -133.718
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: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1879.258312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.258312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.757581 (E_RNA)
where:
Base-Base interactions energy: -1270.162
where: short stacking energy: -520.597
Base-Backbone interact. energy: -2.033
local terms energy: -610.563145
where:
bonds (distance) C4'-P energy: -123.096
bonds (distance) P-C4' energy: -129.880
flat angles C4'-P-C4' energy: -141.676
flat angles P-C4'-P energy: -94.647
tors. eta vs tors. theta energy: -121.264
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2910.821234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.821234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.544735 (E_RNA)
where:
Base-Base interactions energy: -2075.113
where: short stacking energy: -842.040
Base-Backbone interact. energy: -3.322
local terms energy: -835.110676
where:
bonds (distance) C4'-P energy: -151.868
bonds (distance) P-C4' energy: -158.881
flat angles C4'-P-C4' energy: -165.622
flat angles P-C4'-P energy: -117.174
tors. eta vs tors. theta energy: -241.565
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2821.912761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.912761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.109758 (E_RNA)
where:
Base-Base interactions energy: -1989.533
where: short stacking energy: -820.658
Base-Backbone interact. energy: -3.577
local terms energy: -829.999821
where:
bonds (distance) C4'-P energy: -150.301
bonds (distance) P-C4' energy: -156.342
flat angles C4'-P-C4' energy: -168.669
flat angles P-C4'-P energy: -123.459
tors. eta vs tors. theta energy: -231.228
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: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2571.866920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.866920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.079258 (E_RNA)
where:
Base-Base interactions energy: -1768.456
where: short stacking energy: -770.662
Base-Backbone interact. energy: -3.604
local terms energy: -802.019555
where:
bonds (distance) C4'-P energy: -142.055
bonds (distance) P-C4' energy: -155.880
flat angles C4'-P-C4' energy: -168.821
flat angles P-C4'-P energy: -115.288
tors. eta vs tors. theta energy: -219.976
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: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2382.701330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.701330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.394546 (E_RNA)
where:
Base-Base interactions energy: -1596.030
where: short stacking energy: -666.888
Base-Backbone interact. energy: 1.721
local terms energy: -790.085726
where:
bonds (distance) C4'-P energy: -145.630
bonds (distance) P-C4' energy: -154.644
flat angles C4'-P-C4' energy: -173.739
flat angles P-C4'-P energy: -117.798
tors. eta vs tors. theta energy: -198.275
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2419.993412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.993412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.936251 (E_RNA)
where:
Base-Base interactions energy: -1631.455
where: short stacking energy: -687.746
Base-Backbone interact. energy: -3.811
local terms energy: -786.670145
where:
bonds (distance) C4'-P energy: -148.939
bonds (distance) P-C4' energy: -150.180
flat angles C4'-P-C4' energy: -172.415
flat angles P-C4'-P energy: -103.318
tors. eta vs tors. theta energy: -211.817
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2192.900276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.900276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.413732 (E_RNA)
where:
Base-Base interactions energy: -1453.948
where: short stacking energy: -647.290
Base-Backbone interact. energy: -5.422
local terms energy: -736.044196
where:
bonds (distance) C4'-P energy: -133.959
bonds (distance) P-C4' energy: -136.800
flat angles C4'-P-C4' energy: -156.731
flat angles P-C4'-P energy: -110.209
tors. eta vs tors. theta energy: -198.346
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: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2111.371786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.371786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.880786 (E_RNA)
where:
Base-Base interactions energy: -1452.024
where: short stacking energy: -620.069
Base-Backbone interact. energy: 4.634
local terms energy: -666.490464
where:
bonds (distance) C4'-P energy: -141.002
bonds (distance) P-C4' energy: -133.035
flat angles C4'-P-C4' energy: -144.765
flat angles P-C4'-P energy: -94.743
tors. eta vs tors. theta energy: -152.946
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: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2038.914150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.914150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.514441 (E_RNA)
where:
Base-Base interactions energy: -1373.454
where: short stacking energy: -579.641
Base-Backbone interact. energy: -1.566
local terms energy: -666.493865
where:
bonds (distance) C4'-P energy: -130.946
bonds (distance) P-C4' energy: -151.912
flat angles C4'-P-C4' energy: -144.674
flat angles P-C4'-P energy: -97.394
tors. eta vs tors. theta energy: -141.568
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1847.454862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.454862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.609774 (E_RNA)
where:
Base-Base interactions energy: -1267.237
where: short stacking energy: -525.410
Base-Backbone interact. energy: -1.062
local terms energy: -586.311468
where:
bonds (distance) C4'-P energy: -99.584
bonds (distance) P-C4' energy: -138.351
flat angles C4'-P-C4' energy: -135.684
flat angles P-C4'-P energy: -90.660
tors. eta vs tors. theta energy: -122.032
Dist. restrs. and SS energy: 7.155 (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: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1848.714506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.714506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.091267 (E_RNA)
where:
Base-Base interactions energy: -1256.584
where: short stacking energy: -527.360
Base-Backbone interact. energy: -2.831
local terms energy: -595.675965
where:
bonds (distance) C4'-P energy: -116.377
bonds (distance) P-C4' energy: -115.854
flat angles C4'-P-C4' energy: -147.427
flat angles P-C4'-P energy: -88.542
tors. eta vs tors. theta energy: -127.476
Dist. restrs. and SS energy: 6.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2891.187835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.187835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.395149 (E_RNA)
where:
Base-Base interactions energy: -1997.113
where: short stacking energy: -846.010
Base-Backbone interact. energy: -2.618
local terms energy: -894.664577
where:
bonds (distance) C4'-P energy: -169.006
bonds (distance) P-C4' energy: -174.156
flat angles C4'-P-C4' energy: -177.397
flat angles P-C4'-P energy: -111.573
tors. eta vs tors. theta energy: -262.533
Dist. restrs. and SS energy: 3.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2744.875886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.875886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.028187 (E_RNA)
where:
Base-Base interactions energy: -1930.302
where: short stacking energy: -787.394
Base-Backbone interact. energy: -3.411
local terms energy: -812.315043
where:
bonds (distance) C4'-P energy: -139.193
bonds (distance) P-C4' energy: -166.412
flat angles C4'-P-C4' energy: -174.679
flat angles P-C4'-P energy: -102.748
tors. eta vs tors. theta energy: -229.283
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: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2572.968482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.968482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.770704 (E_RNA)
where:
Base-Base interactions energy: -1733.716
where: short stacking energy: -725.971
Base-Backbone interact. energy: -3.771
local terms energy: -837.282968
where:
bonds (distance) C4'-P energy: -153.979
bonds (distance) P-C4' energy: -156.092
flat angles C4'-P-C4' energy: -186.697
flat angles P-C4'-P energy: -128.171
tors. eta vs tors. theta energy: -212.343
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: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2523.500516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.500516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.410030 (E_RNA)
where:
Base-Base interactions energy: -1714.260
where: short stacking energy: -768.483
Base-Backbone interact. energy: -1.346
local terms energy: -810.804888
where:
bonds (distance) C4'-P energy: -151.209
bonds (distance) P-C4' energy: -155.921
flat angles C4'-P-C4' energy: -173.065
flat angles P-C4'-P energy: -111.950
tors. eta vs tors. theta energy: -218.660
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2420.590227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.590227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.390071 (E_RNA)
where:
Base-Base interactions energy: -1681.655
where: short stacking energy: -735.277
Base-Backbone interact. energy: -4.307
local terms energy: -738.428823
where:
bonds (distance) C4'-P energy: -114.486
bonds (distance) P-C4' energy: -151.989
flat angles C4'-P-C4' energy: -151.910
flat angles P-C4'-P energy: -106.822
tors. eta vs tors. theta energy: -213.222
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: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2229.997920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.997920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.395189 (E_RNA)
where:
Base-Base interactions energy: -1495.025
where: short stacking energy: -670.615
Base-Backbone interact. energy: -1.847
local terms energy: -735.522937
where:
bonds (distance) C4'-P energy: -124.142
bonds (distance) P-C4' energy: -148.454
flat angles C4'-P-C4' energy: -162.848
flat angles P-C4'-P energy: -103.123
tors. eta vs tors. theta energy: -196.956
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: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2113.493207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.493207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.152311 (E_RNA)
where:
Base-Base interactions energy: -1435.779
where: short stacking energy: -622.946
Base-Backbone interact. energy: 3.400
local terms energy: -683.773335
where:
bonds (distance) C4'-P energy: -130.014
bonds (distance) P-C4' energy: -136.607
flat angles C4'-P-C4' energy: -160.052
flat angles P-C4'-P energy: -97.398
tors. eta vs tors. theta energy: -159.701
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2029.665894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.665894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.019071 (E_RNA)
where:
Base-Base interactions energy: -1348.048
where: short stacking energy: -549.997
Base-Backbone interact. energy: 0.186
local terms energy: -685.156570
where:
bonds (distance) C4'-P energy: -139.770
bonds (distance) P-C4' energy: -160.504
flat angles C4'-P-C4' energy: -152.823
flat angles P-C4'-P energy: -87.210
tors. eta vs tors. theta energy: -144.850
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1900.555840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.555840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.936837 (E_RNA)
where:
Base-Base interactions energy: -1317.006
where: short stacking energy: -544.240
Base-Backbone interact. energy: 1.917
local terms energy: -586.847870
where:
bonds (distance) C4'-P energy: -120.439
bonds (distance) P-C4' energy: -136.761
flat angles C4'-P-C4' energy: -130.600
flat angles P-C4'-P energy: -78.081
tors. eta vs tors. theta energy: -120.967
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: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1797.325766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.325766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.175973 (E_RNA)
where:
Base-Base interactions energy: -1218.601
where: short stacking energy: -527.308
Base-Backbone interact. energy: -3.643
local terms energy: -584.932050
where:
bonds (distance) C4'-P energy: -126.537
bonds (distance) P-C4' energy: -129.271
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -77.829
tors. eta vs tors. theta energy: -114.888
Dist. restrs. and SS energy: 9.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2888.438846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.438846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.495884 (E_RNA)
where:
Base-Base interactions energy: -2004.476
where: short stacking energy: -825.838
Base-Backbone interact. energy: -2.939
local terms energy: -882.081151
where:
bonds (distance) C4'-P energy: -169.004
bonds (distance) P-C4' energy: -160.657
flat angles C4'-P-C4' energy: -192.875
flat angles P-C4'-P energy: -118.518
tors. eta vs tors. theta energy: -241.026
Dist. restrs. and SS energy: 1.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2796.855381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.855381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.167058 (E_RNA)
where:
Base-Base interactions energy: -1944.489
where: short stacking energy: -800.012
Base-Backbone interact. energy: -4.349
local terms energy: -850.328576
where:
bonds (distance) C4'-P energy: -161.578
bonds (distance) P-C4' energy: -154.926
flat angles C4'-P-C4' energy: -183.228
flat angles P-C4'-P energy: -108.516
tors. eta vs tors. theta energy: -242.082
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: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2583.531397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.531397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.987486 (E_RNA)
where:
Base-Base interactions energy: -1745.975
where: short stacking energy: -760.070
Base-Backbone interact. energy: -0.106
local terms energy: -838.906761
where:
bonds (distance) C4'-P energy: -152.072
bonds (distance) P-C4' energy: -156.084
flat angles C4'-P-C4' energy: -185.263
flat angles P-C4'-P energy: -114.462
tors. eta vs tors. theta energy: -231.025
Dist. restrs. and SS energy: 1.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2436.680445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.680445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.345982 (E_RNA)
where:
Base-Base interactions energy: -1647.799
where: short stacking energy: -715.550
Base-Backbone interact. energy: 3.837
local terms energy: -795.383604
where:
bonds (distance) C4'-P energy: -152.329
bonds (distance) P-C4' energy: -159.182
flat angles C4'-P-C4' energy: -167.389
flat angles P-C4'-P energy: -117.258
tors. eta vs tors. theta energy: -199.225
Dist. restrs. and SS energy: 2.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2413.406503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.406503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.436408 (E_RNA)
where:
Base-Base interactions energy: -1669.057
where: short stacking energy: -709.747
Base-Backbone interact. energy: -3.796
local terms energy: -742.583882
where:
bonds (distance) C4'-P energy: -130.948
bonds (distance) P-C4' energy: -145.697
flat angles C4'-P-C4' energy: -155.113
flat angles P-C4'-P energy: -101.912
tors. eta vs tors. theta energy: -208.914
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2163.344338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.344338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.481878 (E_RNA)
where:
Base-Base interactions energy: -1447.424
where: short stacking energy: -648.724
Base-Backbone interact. energy: -0.436
local terms energy: -717.622339
where:
bonds (distance) C4'-P energy: -136.464
bonds (distance) P-C4' energy: -136.510
flat angles C4'-P-C4' energy: -160.549
flat angles P-C4'-P energy: -115.803
tors. eta vs tors. theta energy: -168.296
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2161.735042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.735042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.148836 (E_RNA)
where:
Base-Base interactions energy: -1430.145
where: short stacking energy: -616.442
Base-Backbone interact. energy: -1.856
local terms energy: -732.147653
where:
bonds (distance) C4'-P energy: -133.053
bonds (distance) P-C4' energy: -157.248
flat angles C4'-P-C4' energy: -161.684
flat angles P-C4'-P energy: -122.353
tors. eta vs tors. theta energy: -157.809
Dist. restrs. and SS energy: 2.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2131.128645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.128645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.789977 (E_RNA)
where:
Base-Base interactions energy: -1462.401
where: short stacking energy: -596.193
Base-Backbone interact. energy: -2.665
local terms energy: -667.724380
where:
bonds (distance) C4'-P energy: -133.604
bonds (distance) P-C4' energy: -135.154
flat angles C4'-P-C4' energy: -145.694
flat angles P-C4'-P energy: -91.357
tors. eta vs tors. theta energy: -161.915
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: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1942.712016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.712016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.494274 (E_RNA)
where:
Base-Base interactions energy: -1339.658
where: short stacking energy: -565.968
Base-Backbone interact. energy: -1.021
local terms energy: -606.814918
where:
bonds (distance) C4'-P energy: -108.304
bonds (distance) P-C4' energy: -123.475
flat angles C4'-P-C4' energy: -141.041
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -150.051
Dist. restrs. and SS energy: 4.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1804.442860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.442860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.606545 (E_RNA)
where:
Base-Base interactions energy: -1202.716
where: short stacking energy: -530.972
Base-Backbone interact. energy: -0.175
local terms energy: -612.716063
where:
bonds (distance) C4'-P energy: -130.090
bonds (distance) P-C4' energy: -134.252
flat angles C4'-P-C4' energy: -138.968
flat angles P-C4'-P energy: -82.920
tors. eta vs tors. theta energy: -126.487
Dist. restrs. and SS energy: 11.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2902.531714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.531714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.843606 (E_RNA)
where:
Base-Base interactions energy: -2028.870
where: short stacking energy: -851.682
Base-Backbone interact. energy: -2.714
local terms energy: -872.259732
where:
bonds (distance) C4'-P energy: -164.284
bonds (distance) P-C4' energy: -156.996
flat angles C4'-P-C4' energy: -184.145
flat angles P-C4'-P energy: -124.302
tors. eta vs tors. theta energy: -242.533
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2809.631035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.631035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.794884 (E_RNA)
where:
Base-Base interactions energy: -1965.377
where: short stacking energy: -796.545
Base-Backbone interact. energy: -1.873
local terms energy: -843.545283
where:
bonds (distance) C4'-P energy: -156.819
bonds (distance) P-C4' energy: -151.776
flat angles C4'-P-C4' energy: -179.591
flat angles P-C4'-P energy: -121.002
tors. eta vs tors. theta energy: -234.358
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2587.508067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.508067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.321452 (E_RNA)
where:
Base-Base interactions energy: -1764.446
where: short stacking energy: -742.835
Base-Backbone interact. energy: -1.169
local terms energy: -823.705821
where:
bonds (distance) C4'-P energy: -165.792
bonds (distance) P-C4' energy: -147.641
flat angles C4'-P-C4' energy: -180.463
flat angles P-C4'-P energy: -112.428
tors. eta vs tors. theta energy: -217.381
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: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2482.433406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.433406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.203683 (E_RNA)
where:
Base-Base interactions energy: -1666.810
where: short stacking energy: -714.642
Base-Backbone interact. energy: -2.542
local terms energy: -815.851813
where:
bonds (distance) C4'-P energy: -157.446
bonds (distance) P-C4' energy: -150.996
flat angles C4'-P-C4' energy: -173.019
flat angles P-C4'-P energy: -128.050
tors. eta vs tors. theta energy: -206.341
Dist. restrs. and SS energy: 2.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2442.684321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.684321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.858335 (E_RNA)
where:
Base-Base interactions energy: -1696.630
where: short stacking energy: -704.240
Base-Backbone interact. energy: 6.042
local terms energy: -753.269645
where:
bonds (distance) C4'-P energy: -144.065
bonds (distance) P-C4' energy: -138.103
flat angles C4'-P-C4' energy: -155.698
flat angles P-C4'-P energy: -110.589
tors. eta vs tors. theta energy: -204.815
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: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2166.929304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.929304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.841689 (E_RNA)
where:
Base-Base interactions energy: -1455.980
where: short stacking energy: -630.032
Base-Backbone interact. energy: 3.964
local terms energy: -716.825525
where:
bonds (distance) C4'-P energy: -139.183
bonds (distance) P-C4' energy: -146.375
flat angles C4'-P-C4' energy: -163.123
flat angles P-C4'-P energy: -99.410
tors. eta vs tors. theta energy: -168.734
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: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2228.579686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.579686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.135299 (E_RNA)
where:
Base-Base interactions energy: -1517.725
where: short stacking energy: -664.403
Base-Backbone interact. energy: 0.230
local terms energy: -713.640485
where:
bonds (distance) C4'-P energy: -128.723
bonds (distance) P-C4' energy: -136.173
flat angles C4'-P-C4' energy: -160.282
flat angles P-C4'-P energy: -103.613
tors. eta vs tors. theta energy: -184.850
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2009.789743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.789743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.790202 (E_RNA)
where:
Base-Base interactions energy: -1336.095
where: short stacking energy: -550.774
Base-Backbone interact. energy: 3.624
local terms energy: -679.319875
where:
bonds (distance) C4'-P energy: -143.227
bonds (distance) P-C4' energy: -146.493
flat angles C4'-P-C4' energy: -154.049
flat angles P-C4'-P energy: -89.768
tors. eta vs tors. theta energy: -145.784
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: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1852.125427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.125427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.356607 (E_RNA)
where:
Base-Base interactions energy: -1227.975
where: short stacking energy: -511.747
Base-Backbone interact. energy: 2.887
local terms energy: -631.268487
where:
bonds (distance) C4'-P energy: -122.270
bonds (distance) P-C4' energy: -150.301
flat angles C4'-P-C4' energy: -148.285
flat angles P-C4'-P energy: -90.110
tors. eta vs tors. theta energy: -120.303
Dist. restrs. and SS energy: 4.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1838.760881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.760881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.554163 (E_RNA)
where:
Base-Base interactions energy: -1256.922
where: short stacking energy: -524.726
Base-Backbone interact. energy: -2.056
local terms energy: -583.576490
where:
bonds (distance) C4'-P energy: -126.092
bonds (distance) P-C4' energy: -124.594
flat angles C4'-P-C4' energy: -131.242
flat angles P-C4'-P energy: -70.803
tors. eta vs tors. theta energy: -130.845
Dist. restrs. and SS energy: 3.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2871.148700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.148700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.473333 (E_RNA)
where:
Base-Base interactions energy: -1992.392
where: short stacking energy: -825.778
Base-Backbone interact. energy: -4.690
local terms energy: -875.390673
where:
bonds (distance) C4'-P energy: -165.909
bonds (distance) P-C4' energy: -165.477
flat angles C4'-P-C4' energy: -178.994
flat angles P-C4'-P energy: -129.795
tors. eta vs tors. theta energy: -235.216
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2803.531698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.531698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.384928 (E_RNA)
where:
Base-Base interactions energy: -1961.998
where: short stacking energy: -822.271
Base-Backbone interact. energy: -5.655
local terms energy: -837.732095
where:
bonds (distance) C4'-P energy: -152.730
bonds (distance) P-C4' energy: -168.075
flat angles C4'-P-C4' energy: -189.042
flat angles P-C4'-P energy: -98.464
tors. eta vs tors. theta energy: -229.421
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: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2617.991375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.991375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.438501 (E_RNA)
where:
Base-Base interactions energy: -1784.205
where: short stacking energy: -754.098
Base-Backbone interact. energy: -2.670
local terms energy: -833.563693
where:
bonds (distance) C4'-P energy: -154.843
bonds (distance) P-C4' energy: -149.858
flat angles C4'-P-C4' energy: -174.922
flat angles P-C4'-P energy: -118.194
tors. eta vs tors. theta energy: -235.746
Dist. restrs. and SS energy: 2.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2485.400008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.400008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.461179 (E_RNA)
where:
Base-Base interactions energy: -1668.934
where: short stacking energy: -731.851
Base-Backbone interact. energy: -4.087
local terms energy: -813.440513
where:
bonds (distance) C4'-P energy: -153.574
bonds (distance) P-C4' energy: -147.679
flat angles C4'-P-C4' energy: -176.131
flat angles P-C4'-P energy: -118.001
tors. eta vs tors. theta energy: -218.056
Dist. restrs. and SS energy: 1.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2379.223917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.223917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.718956 (E_RNA)
where:
Base-Base interactions energy: -1638.227
where: short stacking energy: -699.261
Base-Backbone interact. energy: -0.237
local terms energy: -743.254649
where:
bonds (distance) C4'-P energy: -134.270
bonds (distance) P-C4' energy: -144.950
flat angles C4'-P-C4' energy: -167.488
flat angles P-C4'-P energy: -107.464
tors. eta vs tors. theta energy: -189.083
Dist. restrs. and SS energy: 2.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2247.745328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.745328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.995641 (E_RNA)
where:
Base-Base interactions energy: -1522.709
where: short stacking energy: -654.338
Base-Backbone interact. energy: 4.828
local terms energy: -734.115326
where:
bonds (distance) C4'-P energy: -136.743
bonds (distance) P-C4' energy: -148.454
flat angles C4'-P-C4' energy: -159.137
flat angles P-C4'-P energy: -112.772
tors. eta vs tors. theta energy: -177.009
Dist. restrs. and SS energy: 4.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2111.522663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.522663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.638623 (E_RNA)
where:
Base-Base interactions energy: -1416.369
where: short stacking energy: -609.940
Base-Backbone interact. energy: -0.023
local terms energy: -698.246289
where:
bonds (distance) C4'-P energy: -140.801
bonds (distance) P-C4' energy: -131.676
flat angles C4'-P-C4' energy: -148.259
flat angles P-C4'-P energy: -102.921
tors. eta vs tors. theta energy: -174.589
Dist. restrs. and SS energy: 3.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2034.695953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.695953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.309018 (E_RNA)
where:
Base-Base interactions energy: -1386.122
where: short stacking energy: -591.006
Base-Backbone interact. energy: 1.699
local terms energy: -652.886087
where:
bonds (distance) C4'-P energy: -133.314
bonds (distance) P-C4' energy: -139.785
flat angles C4'-P-C4' energy: -140.233
flat angles P-C4'-P energy: -91.073
tors. eta vs tors. theta energy: -148.482
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1847.939244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.939244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.084074 (E_RNA)
where:
Base-Base interactions energy: -1302.892
where: short stacking energy: -535.751
Base-Backbone interact. energy: -0.111
local terms energy: -550.080948
where:
bonds (distance) C4'-P energy: -95.572
bonds (distance) P-C4' energy: -120.159
flat angles C4'-P-C4' energy: -128.945
flat angles P-C4'-P energy: -70.459
tors. eta vs tors. theta energy: -134.946
Dist. restrs. and SS energy: 5.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1831.282255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.282255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.918044 (E_RNA)
where:
Base-Base interactions energy: -1244.910
where: short stacking energy: -499.731
Base-Backbone interact. energy: 0.251
local terms energy: -589.259380
where:
bonds (distance) C4'-P energy: -130.902
bonds (distance) P-C4' energy: -129.864
flat angles C4'-P-C4' energy: -105.359
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -131.528
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2838.190081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.190081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.581600 (E_RNA)
where:
Base-Base interactions energy: -1963.903
where: short stacking energy: -820.339
Base-Backbone interact. energy: -5.046
local terms energy: -870.632350
where:
bonds (distance) C4'-P energy: -157.429
bonds (distance) P-C4' energy: -156.406
flat angles C4'-P-C4' energy: -184.670
flat angles P-C4'-P energy: -133.260
tors. eta vs tors. theta energy: -238.867
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: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2820.450421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.450421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.236324 (E_RNA)
where:
Base-Base interactions energy: -1957.341
where: short stacking energy: -811.480
Base-Backbone interact. energy: 2.765
local terms energy: -866.660930
where:
bonds (distance) C4'-P energy: -166.600
bonds (distance) P-C4' energy: -162.201
flat angles C4'-P-C4' energy: -177.811
flat angles P-C4'-P energy: -127.375
tors. eta vs tors. theta energy: -232.675
Dist. restrs. and SS energy: 0.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2620.747178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.747178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.877750 (E_RNA)
where:
Base-Base interactions energy: -1770.851
where: short stacking energy: -751.864
Base-Backbone interact. energy: -1.790
local terms energy: -849.236137
where:
bonds (distance) C4'-P energy: -165.840
bonds (distance) P-C4' energy: -161.432
flat angles C4'-P-C4' energy: -169.948
flat angles P-C4'-P energy: -124.809
tors. eta vs tors. theta energy: -227.207
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: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2489.094871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.094871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.249479 (E_RNA)
where:
Base-Base interactions energy: -1682.648
where: short stacking energy: -745.921
Base-Backbone interact. energy: -2.825
local terms energy: -805.777016
where:
bonds (distance) C4'-P energy: -131.823
bonds (distance) P-C4' energy: -152.726
flat angles C4'-P-C4' energy: -183.001
flat angles P-C4'-P energy: -114.256
tors. eta vs tors. theta energy: -223.972
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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2371.685260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.685260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.409910 (E_RNA)
where:
Base-Base interactions energy: -1626.678
where: short stacking energy: -684.775
Base-Backbone interact. energy: 1.898
local terms energy: -749.629446
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -129.454
flat angles C4'-P-C4' energy: -180.344
flat angles P-C4'-P energy: -104.244
tors. eta vs tors. theta energy: -196.141
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: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2303.565502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.565502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.728046 (E_RNA)
where:
Base-Base interactions energy: -1591.986
where: short stacking energy: -672.125
Base-Backbone interact. energy: -2.068
local terms energy: -711.673831
where:
bonds (distance) C4'-P energy: -136.615
bonds (distance) P-C4' energy: -141.502
flat angles C4'-P-C4' energy: -143.314
flat angles P-C4'-P energy: -101.772
tors. eta vs tors. theta energy: -188.471
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2146.699256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.699256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.740101 (E_RNA)
where:
Base-Base interactions energy: -1473.748
where: short stacking energy: -639.392
Base-Backbone interact. energy: 2.866
local terms energy: -678.858008
where:
bonds (distance) C4'-P energy: -104.194
bonds (distance) P-C4' energy: -142.703
flat angles C4'-P-C4' energy: -167.571
flat angles P-C4'-P energy: -93.000
tors. eta vs tors. theta energy: -171.390
Dist. restrs. and SS energy: 3.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2005.301400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.301400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.204457 (E_RNA)
where:
Base-Base interactions energy: -1369.219
where: short stacking energy: -573.660
Base-Backbone interact. energy: -4.241
local terms energy: -633.743914
where:
bonds (distance) C4'-P energy: -114.181
bonds (distance) P-C4' energy: -120.656
flat angles C4'-P-C4' energy: -152.653
flat angles P-C4'-P energy: -101.014
tors. eta vs tors. theta energy: -145.240
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: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1932.995670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.995670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.915318 (E_RNA)
where:
Base-Base interactions energy: -1304.004
where: short stacking energy: -535.379
Base-Backbone interact. energy: 0.029
local terms energy: -630.940020
where:
bonds (distance) C4'-P energy: -124.570
bonds (distance) P-C4' energy: -123.171
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -104.074
tors. eta vs tors. theta energy: -128.794
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1813.851025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.851025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.502994 (E_RNA)
where:
Base-Base interactions energy: -1262.450
where: short stacking energy: -506.653
Base-Backbone interact. energy: -2.294
local terms energy: -555.758551
where:
bonds (distance) C4'-P energy: -93.119
bonds (distance) P-C4' energy: -107.371
flat angles C4'-P-C4' energy: -141.624
flat angles P-C4'-P energy: -92.837
tors. eta vs tors. theta energy: -120.807
Dist. restrs. and SS energy: 6.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2886.544844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.544844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.866533 (E_RNA)
where:
Base-Base interactions energy: -2026.728
where: short stacking energy: -819.197
Base-Backbone interact. energy: -2.849
local terms energy: -858.289350
where:
bonds (distance) C4'-P energy: -162.694
bonds (distance) P-C4' energy: -167.543
flat angles C4'-P-C4' energy: -160.172
flat angles P-C4'-P energy: -130.738
tors. eta vs tors. theta energy: -237.143
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: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2801.917251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.917251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.538890 (E_RNA)
where:
Base-Base interactions energy: -1984.824
where: short stacking energy: -815.228
Base-Backbone interact. energy: 2.143
local terms energy: -820.857911
where:
bonds (distance) C4'-P energy: -139.814
bonds (distance) P-C4' energy: -157.233
flat angles C4'-P-C4' energy: -177.977
flat angles P-C4'-P energy: -117.304
tors. eta vs tors. theta energy: -228.530
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2599.262713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.262713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.836689 (E_RNA)
where:
Base-Base interactions energy: -1758.201
where: short stacking energy: -729.752
Base-Backbone interact. energy: 4.023
local terms energy: -847.658695
where:
bonds (distance) C4'-P energy: -159.504
bonds (distance) P-C4' energy: -155.660
flat angles C4'-P-C4' energy: -184.321
flat angles P-C4'-P energy: -130.769
tors. eta vs tors. theta energy: -217.405
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: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2482.794029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.794029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.451081 (E_RNA)
where:
Base-Base interactions energy: -1698.733
where: short stacking energy: -730.983
Base-Backbone interact. energy: 4.783
local terms energy: -790.501148
where:
bonds (distance) C4'-P energy: -148.503
bonds (distance) P-C4' energy: -133.725
flat angles C4'-P-C4' energy: -171.086
flat angles P-C4'-P energy: -115.579
tors. eta vs tors. theta energy: -221.608
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2313.958037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.958037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.193982 (E_RNA)
where:
Base-Base interactions energy: -1549.581
where: short stacking energy: -655.373
Base-Backbone interact. energy: -2.007
local terms energy: -763.606412
where:
bonds (distance) C4'-P energy: -133.772
bonds (distance) P-C4' energy: -151.318
flat angles C4'-P-C4' energy: -192.546
flat angles P-C4'-P energy: -109.900
tors. eta vs tors. theta energy: -176.071
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2216.386222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.386222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.178126 (E_RNA)
where:
Base-Base interactions energy: -1505.311
where: short stacking energy: -656.066
Base-Backbone interact. energy: -2.041
local terms energy: -710.826574
where:
bonds (distance) C4'-P energy: -131.029
bonds (distance) P-C4' energy: -132.033
flat angles C4'-P-C4' energy: -160.790
flat angles P-C4'-P energy: -104.359
tors. eta vs tors. theta energy: -182.615
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: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2171.708984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.708984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.668778 (E_RNA)
where:
Base-Base interactions energy: -1477.931
where: short stacking energy: -623.148
Base-Backbone interact. energy: -0.305
local terms energy: -695.432297
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -137.245
flat angles C4'-P-C4' energy: -153.124
flat angles P-C4'-P energy: -95.047
tors. eta vs tors. theta energy: -176.214
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: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2073.048031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.048031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.260424 (E_RNA)
where:
Base-Base interactions energy: -1413.267
where: short stacking energy: -624.910
Base-Backbone interact. energy: -2.636
local terms energy: -659.357650
where:
bonds (distance) C4'-P energy: -136.125
bonds (distance) P-C4' energy: -135.915
flat angles C4'-P-C4' energy: -145.032
flat angles P-C4'-P energy: -73.327
tors. eta vs tors. theta energy: -168.959
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1916.546764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.546764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.357707 (E_RNA)
where:
Base-Base interactions energy: -1286.760
where: short stacking energy: -524.525
Base-Backbone interact. energy: -1.068
local terms energy: -631.529234
where:
bonds (distance) C4'-P energy: -131.667
bonds (distance) P-C4' energy: -148.394
flat angles C4'-P-C4' energy: -139.284
flat angles P-C4'-P energy: -84.833
tors. eta vs tors. theta energy: -127.352
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1831.153090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.153090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.705600 (E_RNA)
where:
Base-Base interactions energy: -1244.134
where: short stacking energy: -532.487
Base-Backbone interact. energy: -1.454
local terms energy: -596.117435
where:
bonds (distance) C4'-P energy: -122.831
bonds (distance) P-C4' energy: -141.221
flat angles C4'-P-C4' energy: -124.462
flat angles P-C4'-P energy: -84.133
tors. eta vs tors. theta energy: -123.470
Dist. restrs. and SS energy: 10.553 (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: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2883.243372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.243372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.558169 (E_RNA)
where:
Base-Base interactions energy: -2014.807
where: short stacking energy: -843.645
Base-Backbone interact. energy: 1.645
local terms energy: -871.396663
where:
bonds (distance) C4'-P energy: -159.644
bonds (distance) P-C4' energy: -169.987
flat angles C4'-P-C4' energy: -180.740
flat angles P-C4'-P energy: -126.671
tors. eta vs tors. theta energy: -234.354
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: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2806.618399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.618399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.404928 (E_RNA)
where:
Base-Base interactions energy: -1971.971
where: short stacking energy: -792.426
Base-Backbone interact. energy: 1.182
local terms energy: -836.615703
where:
bonds (distance) C4'-P energy: -149.252
bonds (distance) P-C4' energy: -154.009
flat angles C4'-P-C4' energy: -184.967
flat angles P-C4'-P energy: -123.326
tors. eta vs tors. theta energy: -225.062
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: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2616.419959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.419959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.624748 (E_RNA)
where:
Base-Base interactions energy: -1815.490
where: short stacking energy: -774.217
Base-Backbone interact. energy: -0.881
local terms energy: -801.253440
where:
bonds (distance) C4'-P energy: -139.121
bonds (distance) P-C4' energy: -154.789
flat angles C4'-P-C4' energy: -173.240
flat angles P-C4'-P energy: -99.580
tors. eta vs tors. theta energy: -234.523
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: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2489.619667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.619667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.524255 (E_RNA)
where:
Base-Base interactions energy: -1717.265
where: short stacking energy: -744.028
Base-Backbone interact. energy: -0.476
local terms energy: -774.783861
where:
bonds (distance) C4'-P energy: -147.649
bonds (distance) P-C4' energy: -143.002
flat angles C4'-P-C4' energy: -164.129
flat angles P-C4'-P energy: -99.189
tors. eta vs tors. theta energy: -220.815
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: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2334.967048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.967048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.605931 (E_RNA)
where:
Base-Base interactions energy: -1572.066
where: short stacking energy: -666.486
Base-Backbone interact. energy: -1.539
local terms energy: -763.001752
where:
bonds (distance) C4'-P energy: -145.880
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -170.795
flat angles P-C4'-P energy: -104.121
tors. eta vs tors. theta energy: -201.096
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: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2271.894260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.894260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.166790 (E_RNA)
where:
Base-Base interactions energy: -1533.108
where: short stacking energy: -645.461
Base-Backbone interact. energy: -3.749
local terms energy: -738.310271
where:
bonds (distance) C4'-P energy: -142.491
bonds (distance) P-C4' energy: -147.997
flat angles C4'-P-C4' energy: -159.338
flat angles P-C4'-P energy: -96.657
tors. eta vs tors. theta energy: -191.828
Dist. restrs. and SS energy: 3.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2135.781859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.781859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.714064 (E_RNA)
where:
Base-Base interactions energy: -1448.854
where: short stacking energy: -635.703
Base-Backbone interact. energy: -0.785
local terms energy: -688.075308
where:
bonds (distance) C4'-P energy: -109.531
bonds (distance) P-C4' energy: -141.909
flat angles C4'-P-C4' energy: -158.422
flat angles P-C4'-P energy: -103.043
tors. eta vs tors. theta energy: -175.171
Dist. restrs. and SS energy: 1.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2090.968790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.968790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.030981 (E_RNA)
where:
Base-Base interactions energy: -1409.062
where: short stacking energy: -591.974
Base-Backbone interact. energy: 3.640
local terms energy: -687.608553
where:
bonds (distance) C4'-P energy: -134.415
bonds (distance) P-C4' energy: -130.220
flat angles C4'-P-C4' energy: -158.193
flat angles P-C4'-P energy: -98.050
tors. eta vs tors. theta energy: -166.730
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: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1973.097841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.097841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.421000 (E_RNA)
where:
Base-Base interactions energy: -1354.919
where: short stacking energy: -568.691
Base-Backbone interact. energy: 0.201
local terms energy: -621.702505
where:
bonds (distance) C4'-P energy: -120.955
bonds (distance) P-C4' energy: -133.802
flat angles C4'-P-C4' energy: -139.224
flat angles P-C4'-P energy: -80.900
tors. eta vs tors. theta energy: -146.822
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1840.604607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.604607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.206852 (E_RNA)
where:
Base-Base interactions energy: -1240.888
where: short stacking energy: -515.164
Base-Backbone interact. energy: -2.528
local terms energy: -601.790806
where:
bonds (distance) C4'-P energy: -128.033
bonds (distance) P-C4' energy: -107.679
flat angles C4'-P-C4' energy: -138.394
flat angles P-C4'-P energy: -92.315
tors. eta vs tors. theta energy: -135.370
Dist. restrs. and SS energy: 4.602 (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: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2883.895649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.895649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.593388 (E_RNA)
where:
Base-Base interactions energy: -2002.272
where: short stacking energy: -827.664
Base-Backbone interact. energy: 0.146
local terms energy: -882.467117
where:
bonds (distance) C4'-P energy: -149.853
bonds (distance) P-C4' energy: -171.335
flat angles C4'-P-C4' energy: -191.723
flat angles P-C4'-P energy: -134.986
tors. eta vs tors. theta energy: -234.570
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: 191
Temperature: 0.950000
Total energy: -2827.374271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.374271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.913683 (E_RNA)
where:
Base-Base interactions energy: -1966.115
where: short stacking energy: -813.937
Base-Backbone interact. energy: -0.215
local terms energy: -862.584609
where:
bonds (distance) C4'-P energy: -166.968
bonds (distance) P-C4' energy: -162.628
flat angles C4'-P-C4' energy: -174.017
flat angles P-C4'-P energy: -117.305
tors. eta vs tors. theta energy: -241.667
Dist. restrs. and SS energy: 1.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2633.005833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.005833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.796154 (E_RNA)
where:
Base-Base interactions energy: -1778.150
where: short stacking energy: -756.706
Base-Backbone interact. energy: 1.257
local terms energy: -857.903542
where:
bonds (distance) C4'-P energy: -160.467
bonds (distance) P-C4' energy: -152.895
flat angles C4'-P-C4' energy: -186.143
flat angles P-C4'-P energy: -131.304
tors. eta vs tors. theta energy: -227.095
Dist. restrs. and SS energy: 1.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2460.477631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.477631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.641201 (E_RNA)
where:
Base-Base interactions energy: -1692.898
where: short stacking energy: -717.019
Base-Backbone interact. energy: 1.573
local terms energy: -772.316039
where:
bonds (distance) C4'-P energy: -143.416
bonds (distance) P-C4' energy: -157.653
flat angles C4'-P-C4' energy: -173.622
flat angles P-C4'-P energy: -104.152
tors. eta vs tors. theta energy: -193.473
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2348.692898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.692898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.634299 (E_RNA)
where:
Base-Base interactions energy: -1593.111
where: short stacking energy: -673.810
Base-Backbone interact. energy: 0.674
local terms energy: -758.196810
where:
bonds (distance) C4'-P energy: -142.819
bonds (distance) P-C4' energy: -150.100
flat angles C4'-P-C4' energy: -170.354
flat angles P-C4'-P energy: -115.817
tors. eta vs tors. theta energy: -179.106
Dist. restrs. and SS energy: 1.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2254.273670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.273670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.250640 (E_RNA)
where:
Base-Base interactions energy: -1544.510
where: short stacking energy: -672.872
Base-Backbone interact. energy: -1.162
local terms energy: -710.577886
where:
bonds (distance) C4'-P energy: -133.471
bonds (distance) P-C4' energy: -129.624
flat angles C4'-P-C4' energy: -158.586
flat angles P-C4'-P energy: -102.117
tors. eta vs tors. theta energy: -186.780
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2114.161657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.161657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.337829 (E_RNA)
where:
Base-Base interactions energy: -1431.066
where: short stacking energy: -605.226
Base-Backbone interact. energy: 2.036
local terms energy: -689.307722
where:
bonds (distance) C4'-P energy: -125.547
bonds (distance) P-C4' energy: -126.144
flat angles C4'-P-C4' energy: -155.530
flat angles P-C4'-P energy: -115.757
tors. eta vs tors. theta energy: -166.329
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: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2046.134589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.134589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.536469 (E_RNA)
where:
Base-Base interactions energy: -1390.414
where: short stacking energy: -578.355
Base-Backbone interact. energy: -2.501
local terms energy: -654.621460
where:
bonds (distance) C4'-P energy: -133.552
bonds (distance) P-C4' energy: -145.578
flat angles C4'-P-C4' energy: -134.415
flat angles P-C4'-P energy: -89.838
tors. eta vs tors. theta energy: -151.238
Dist. restrs. and SS energy: 1.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -2052.937415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.937415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.970510 (E_RNA)
where:
Base-Base interactions energy: -1337.737
where: short stacking energy: -559.314
Base-Backbone interact. energy: 0.390
local terms energy: -717.623532
where:
bonds (distance) C4'-P energy: -133.495
bonds (distance) P-C4' energy: -152.322
flat angles C4'-P-C4' energy: -141.138
flat angles P-C4'-P energy: -122.628
tors. eta vs tors. theta energy: -168.041
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1786.417810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.417810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.782255 (E_RNA)
where:
Base-Base interactions energy: -1211.359
where: short stacking energy: -491.234
Base-Backbone interact. energy: 7.961
local terms energy: -588.384594
where:
bonds (distance) C4'-P energy: -131.949
bonds (distance) P-C4' energy: -133.136
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -112.392
Dist. restrs. and SS energy: 5.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2901.965423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.965423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.695860 (E_RNA)
where:
Base-Base interactions energy: -2023.294
where: short stacking energy: -828.749
Base-Backbone interact. energy: -6.565
local terms energy: -873.836155
where:
bonds (distance) C4'-P energy: -154.744
bonds (distance) P-C4' energy: -160.086
flat angles C4'-P-C4' energy: -183.955
flat angles P-C4'-P energy: -127.297
tors. eta vs tors. theta energy: -247.755
Dist. restrs. and SS energy: 1.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2770.324937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.324937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.234917 (E_RNA)
where:
Base-Base interactions energy: -1956.196
where: short stacking energy: -800.558
Base-Backbone interact. energy: -2.304
local terms energy: -813.735187
where:
bonds (distance) C4'-P energy: -156.101
bonds (distance) P-C4' energy: -146.081
flat angles C4'-P-C4' energy: -175.844
flat angles P-C4'-P energy: -104.617
tors. eta vs tors. theta energy: -231.092
Dist. restrs. and SS energy: 1.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2600.314404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.314404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.995163 (E_RNA)
where:
Base-Base interactions energy: -1767.870
where: short stacking energy: -755.891
Base-Backbone interact. energy: -4.684
local terms energy: -829.441209
where:
bonds (distance) C4'-P energy: -151.843
bonds (distance) P-C4' energy: -154.369
flat angles C4'-P-C4' energy: -182.503
flat angles P-C4'-P energy: -107.506
tors. eta vs tors. theta energy: -233.220
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: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2471.735633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.735633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.844335 (E_RNA)
where:
Base-Base interactions energy: -1680.706
where: short stacking energy: -710.346
Base-Backbone interact. energy: 1.797
local terms energy: -794.935558
where:
bonds (distance) C4'-P energy: -157.651
bonds (distance) P-C4' energy: -142.839
flat angles C4'-P-C4' energy: -177.042
flat angles P-C4'-P energy: -116.847
tors. eta vs tors. theta energy: -200.556
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2373.709916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.709916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.672442 (E_RNA)
where:
Base-Base interactions energy: -1587.686
where: short stacking energy: -682.390
Base-Backbone interact. energy: 0.731
local terms energy: -789.716786
where:
bonds (distance) C4'-P energy: -151.510
bonds (distance) P-C4' energy: -152.524
flat angles C4'-P-C4' energy: -186.145
flat angles P-C4'-P energy: -110.427
tors. eta vs tors. theta energy: -189.111
Dist. restrs. and SS energy: 2.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2276.005480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.005480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.169128 (E_RNA)
where:
Base-Base interactions energy: -1558.769
where: short stacking energy: -675.898
Base-Backbone interact. energy: 2.733
local terms energy: -721.133673
where:
bonds (distance) C4'-P energy: -124.810
bonds (distance) P-C4' energy: -143.770
flat angles C4'-P-C4' energy: -157.127
flat angles P-C4'-P energy: -102.607
tors. eta vs tors. theta energy: -192.820
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2118.763443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.763443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.880560 (E_RNA)
where:
Base-Base interactions energy: -1425.090
where: short stacking energy: -619.167
Base-Backbone interact. energy: 7.109
local terms energy: -702.899998
where:
bonds (distance) C4'-P energy: -148.598
bonds (distance) P-C4' energy: -155.892
flat angles C4'-P-C4' energy: -155.757
flat angles P-C4'-P energy: -93.964
tors. eta vs tors. theta energy: -148.689
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: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2066.150986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.150986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.770421 (E_RNA)
where:
Base-Base interactions energy: -1427.139
where: short stacking energy: -622.708
Base-Backbone interact. energy: 0.932
local terms energy: -643.562864
where:
bonds (distance) C4'-P energy: -117.925
bonds (distance) P-C4' energy: -138.355
flat angles C4'-P-C4' energy: -144.933
flat angles P-C4'-P energy: -81.620
tors. eta vs tors. theta energy: -160.730
Dist. restrs. and SS energy: 3.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1980.221409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.221409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.080941 (E_RNA)
where:
Base-Base interactions energy: -1327.785
where: short stacking energy: -577.208
Base-Backbone interact. energy: 1.617
local terms energy: -657.913211
where:
bonds (distance) C4'-P energy: -123.458
bonds (distance) P-C4' energy: -134.635
flat angles C4'-P-C4' energy: -139.984
flat angles P-C4'-P energy: -105.385
tors. eta vs tors. theta energy: -154.451
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: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1810.653252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.653252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.293853 (E_RNA)
where:
Base-Base interactions energy: -1208.048
where: short stacking energy: -511.475
Base-Backbone interact. energy: 2.209
local terms energy: -608.455745
where:
bonds (distance) C4'-P energy: -114.361
bonds (distance) P-C4' energy: -142.640
flat angles C4'-P-C4' energy: -157.184
flat angles P-C4'-P energy: -77.566
tors. eta vs tors. theta energy: -116.704
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2865.521109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.521109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.621994 (E_RNA)
where:
Base-Base interactions energy: -1987.816
where: short stacking energy: -818.868
Base-Backbone interact. energy: -5.573
local terms energy: -873.233374
where:
bonds (distance) C4'-P energy: -146.018
bonds (distance) P-C4' energy: -171.609
flat angles C4'-P-C4' energy: -185.229
flat angles P-C4'-P energy: -130.562
tors. eta vs tors. theta energy: -239.816
Dist. restrs. and SS energy: 1.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2783.191943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.191943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.862137 (E_RNA)
where:
Base-Base interactions energy: -1913.999
where: short stacking energy: -797.270
Base-Backbone interact. energy: -4.114
local terms energy: -866.749886
where:
bonds (distance) C4'-P energy: -154.887
bonds (distance) P-C4' energy: -166.645
flat angles C4'-P-C4' energy: -178.444
flat angles P-C4'-P energy: -124.884
tors. eta vs tors. theta energy: -241.890
Dist. restrs. and SS energy: 1.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2595.118815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.118815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.311643 (E_RNA)
where:
Base-Base interactions energy: -1800.659
where: short stacking energy: -765.974
Base-Backbone interact. energy: -1.182
local terms energy: -795.471245
where:
bonds (distance) C4'-P energy: -139.320
bonds (distance) P-C4' energy: -153.632
flat angles C4'-P-C4' energy: -182.067
flat angles P-C4'-P energy: -96.484
tors. eta vs tors. theta energy: -223.968
Dist. restrs. and SS energy: 2.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2457.681169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.681169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.587576 (E_RNA)
where:
Base-Base interactions energy: -1685.859
where: short stacking energy: -725.910
Base-Backbone interact. energy: -2.505
local terms energy: -771.223837
where:
bonds (distance) C4'-P energy: -126.807
bonds (distance) P-C4' energy: -158.985
flat angles C4'-P-C4' energy: -156.726
flat angles P-C4'-P energy: -119.349
tors. eta vs tors. theta energy: -209.358
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2373.587717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.587717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.249594 (E_RNA)
where:
Base-Base interactions energy: -1606.015
where: short stacking energy: -674.242
Base-Backbone interact. energy: -1.645
local terms energy: -767.589526
where:
bonds (distance) C4'-P energy: -138.255
bonds (distance) P-C4' energy: -159.155
flat angles C4'-P-C4' energy: -171.982
flat angles P-C4'-P energy: -104.222
tors. eta vs tors. theta energy: -193.974
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: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2316.071186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.071186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.341312 (E_RNA)
where:
Base-Base interactions energy: -1563.338
where: short stacking energy: -663.174
Base-Backbone interact. energy: -2.757
local terms energy: -751.246275
where:
bonds (distance) C4'-P energy: -135.379
bonds (distance) P-C4' energy: -144.398
flat angles C4'-P-C4' energy: -167.883
flat angles P-C4'-P energy: -113.591
tors. eta vs tors. theta energy: -189.995
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2119.525046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.525046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.210393 (E_RNA)
where:
Base-Base interactions energy: -1425.802
where: short stacking energy: -604.542
Base-Backbone interact. energy: -3.551
local terms energy: -691.857153
where:
bonds (distance) C4'-P energy: -121.077
bonds (distance) P-C4' energy: -160.485
flat angles C4'-P-C4' energy: -150.070
flat angles P-C4'-P energy: -93.822
tors. eta vs tors. theta energy: -166.403
Dist. restrs. and SS energy: 1.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2013.303274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.303274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.886546 (E_RNA)
where:
Base-Base interactions energy: -1347.219
where: short stacking energy: -573.954
Base-Backbone interact. energy: -2.857
local terms energy: -665.811215
where:
bonds (distance) C4'-P energy: -143.100
bonds (distance) P-C4' energy: -143.922
flat angles C4'-P-C4' energy: -140.104
flat angles P-C4'-P energy: -77.948
tors. eta vs tors. theta energy: -160.736
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: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1947.210467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.210467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.422297 (E_RNA)
where:
Base-Base interactions energy: -1307.339
where: short stacking energy: -549.133
Base-Backbone interact. energy: -0.162
local terms energy: -641.921168
where:
bonds (distance) C4'-P energy: -139.107
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -163.679
flat angles P-C4'-P energy: -93.299
tors. eta vs tors. theta energy: -137.178
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: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1805.757666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.757666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.301837 (E_RNA)
where:
Base-Base interactions energy: -1220.918
where: short stacking energy: -515.165
Base-Backbone interact. energy: -0.933
local terms energy: -594.451363
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -127.923
flat angles C4'-P-C4' energy: -133.219
flat angles P-C4'-P energy: -87.174
tors. eta vs tors. theta energy: -129.238
Dist. restrs. and SS energy: 10.544 (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: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2863.756384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.756384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.948835 (E_RNA)
where:
Base-Base interactions energy: -1995.718
where: short stacking energy: -810.658
Base-Backbone interact. energy: -5.055
local terms energy: -865.175259
where:
bonds (distance) C4'-P energy: -168.785
bonds (distance) P-C4' energy: -160.158
flat angles C4'-P-C4' energy: -184.167
flat angles P-C4'-P energy: -105.962
tors. eta vs tors. theta energy: -246.103
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: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2810.903901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.903901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.648127 (E_RNA)
where:
Base-Base interactions energy: -1968.280
where: short stacking energy: -792.421
Base-Backbone interact. energy: -4.109
local terms energy: -840.259724
where:
bonds (distance) C4'-P energy: -159.176
bonds (distance) P-C4' energy: -153.134
flat angles C4'-P-C4' energy: -183.045
flat angles P-C4'-P energy: -119.940
tors. eta vs tors. theta energy: -224.965
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2613.729974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.729974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.565750 (E_RNA)
where:
Base-Base interactions energy: -1736.711
where: short stacking energy: -765.914
Base-Backbone interact. energy: -3.642
local terms energy: -876.212796
where:
bonds (distance) C4'-P energy: -165.653
bonds (distance) P-C4' energy: -166.736
flat angles C4'-P-C4' energy: -183.372
flat angles P-C4'-P energy: -127.476
tors. eta vs tors. theta energy: -232.974
Dist. restrs. and SS energy: 2.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2479.010674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.010674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.944911 (E_RNA)
where:
Base-Base interactions energy: -1696.073
where: short stacking energy: -717.468
Base-Backbone interact. energy: -2.201
local terms energy: -782.671010
where:
bonds (distance) C4'-P energy: -149.109
bonds (distance) P-C4' energy: -141.991
flat angles C4'-P-C4' energy: -161.814
flat angles P-C4'-P energy: -121.050
tors. eta vs tors. theta energy: -208.707
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: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2331.398420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.398420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.410821 (E_RNA)
where:
Base-Base interactions energy: -1586.706
where: short stacking energy: -675.733
Base-Backbone interact. energy: 4.614
local terms energy: -751.319477
where:
bonds (distance) C4'-P energy: -141.056
bonds (distance) P-C4' energy: -152.052
flat angles C4'-P-C4' energy: -168.034
flat angles P-C4'-P energy: -104.119
tors. eta vs tors. theta energy: -186.059
Dist. restrs. and SS energy: 2.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2261.081626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.081626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.717848 (E_RNA)
where:
Base-Base interactions energy: -1541.576
where: short stacking energy: -667.322
Base-Backbone interact. energy: -6.216
local terms energy: -714.925740
where:
bonds (distance) C4'-P energy: -147.703
bonds (distance) P-C4' energy: -126.003
flat angles C4'-P-C4' energy: -155.770
flat angles P-C4'-P energy: -98.846
tors. eta vs tors. theta energy: -186.604
Dist. restrs. and SS energy: 1.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2098.741913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.741913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.246454 (E_RNA)
where:
Base-Base interactions energy: -1416.876
where: short stacking energy: -584.965
Base-Backbone interact. energy: -1.014
local terms energy: -682.356491
where:
bonds (distance) C4'-P energy: -144.217
bonds (distance) P-C4' energy: -154.242
flat angles C4'-P-C4' energy: -142.147
flat angles P-C4'-P energy: -91.893
tors. eta vs tors. theta energy: -149.857
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2010.622183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.622183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.235732 (E_RNA)
where:
Base-Base interactions energy: -1361.323
where: short stacking energy: -562.498
Base-Backbone interact. energy: 2.970
local terms energy: -654.883141
where:
bonds (distance) C4'-P energy: -123.336
bonds (distance) P-C4' energy: -143.634
flat angles C4'-P-C4' energy: -144.246
flat angles P-C4'-P energy: -104.082
tors. eta vs tors. theta energy: -139.585
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: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1855.461167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.461167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.831540 (E_RNA)
where:
Base-Base interactions energy: -1258.772
where: short stacking energy: -545.029
Base-Backbone interact. energy: 0.892
local terms energy: -603.951608
where:
bonds (distance) C4'-P energy: -106.373
bonds (distance) P-C4' energy: -143.880
flat angles C4'-P-C4' energy: -137.130
flat angles P-C4'-P energy: -74.867
tors. eta vs tors. theta energy: -141.702
Dist. restrs. and SS energy: 6.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1935.827408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.827408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.509956 (E_RNA)
where:
Base-Base interactions energy: -1314.878
where: short stacking energy: -555.420
Base-Backbone interact. energy: 6.452
local terms energy: -630.084670
where:
bonds (distance) C4'-P energy: -127.163
bonds (distance) P-C4' energy: -113.468
flat angles C4'-P-C4' energy: -142.672
flat angles P-C4'-P energy: -93.903
tors. eta vs tors. theta energy: -152.878
Dist. restrs. and SS energy: 2.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2896.148352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.148352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.538068 (E_RNA)
where:
Base-Base interactions energy: -2030.901
where: short stacking energy: -839.963
Base-Backbone interact. energy: -5.446
local terms energy: -861.191042
where:
bonds (distance) C4'-P energy: -146.467
bonds (distance) P-C4' energy: -151.958
flat angles C4'-P-C4' energy: -186.284
flat angles P-C4'-P energy: -140.067
tors. eta vs tors. theta energy: -236.415
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: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2821.024288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.024288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.866516 (E_RNA)
where:
Base-Base interactions energy: -1969.436
where: short stacking energy: -831.539
Base-Backbone interact. energy: -4.034
local terms energy: -849.395943
where:
bonds (distance) C4'-P energy: -156.840
bonds (distance) P-C4' energy: -159.073
flat angles C4'-P-C4' energy: -179.207
flat angles P-C4'-P energy: -112.209
tors. eta vs tors. theta energy: -242.067
Dist. restrs. and SS energy: 1.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2591.057591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.057591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.215333 (E_RNA)
where:
Base-Base interactions energy: -1784.198
where: short stacking energy: -772.872
Base-Backbone interact. energy: -0.671
local terms energy: -807.346558
where:
bonds (distance) C4'-P energy: -153.630
bonds (distance) P-C4' energy: -159.032
flat angles C4'-P-C4' energy: -168.131
flat angles P-C4'-P energy: -113.059
tors. eta vs tors. theta energy: -213.494
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: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2507.103778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.103778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.317503 (E_RNA)
where:
Base-Base interactions energy: -1726.021
where: short stacking energy: -711.355
Base-Backbone interact. energy: -0.836
local terms energy: -783.460746
where:
bonds (distance) C4'-P energy: -149.456
bonds (distance) P-C4' energy: -154.946
flat angles C4'-P-C4' energy: -169.419
flat angles P-C4'-P energy: -98.153
tors. eta vs tors. theta energy: -211.487
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: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2309.499939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.499939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.885166 (E_RNA)
where:
Base-Base interactions energy: -1564.783
where: short stacking energy: -687.888
Base-Backbone interact. energy: -0.142
local terms energy: -745.960435
where:
bonds (distance) C4'-P energy: -129.298
bonds (distance) P-C4' energy: -163.071
flat angles C4'-P-C4' energy: -156.425
flat angles P-C4'-P energy: -109.770
tors. eta vs tors. theta energy: -187.396
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: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2264.030697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.030697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.907759 (E_RNA)
where:
Base-Base interactions energy: -1536.659
where: short stacking energy: -677.359
Base-Backbone interact. energy: -3.428
local terms energy: -726.820572
where:
bonds (distance) C4'-P energy: -140.420
bonds (distance) P-C4' energy: -144.487
flat angles C4'-P-C4' energy: -147.852
flat angles P-C4'-P energy: -106.079
tors. eta vs tors. theta energy: -187.982
Dist. restrs. and SS energy: 2.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2151.813810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.813810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.461182 (E_RNA)
where:
Base-Base interactions energy: -1442.414
where: short stacking energy: -626.826
Base-Backbone interact. energy: -1.820
local terms energy: -710.227092
where:
bonds (distance) C4'-P energy: -140.583
bonds (distance) P-C4' energy: -133.241
flat angles C4'-P-C4' energy: -157.907
flat angles P-C4'-P energy: -101.160
tors. eta vs tors. theta energy: -177.336
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: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1976.714959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.714959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.842408 (E_RNA)
where:
Base-Base interactions energy: -1318.940
where: short stacking energy: -555.510
Base-Backbone interact. energy: 3.685
local terms energy: -664.587732
where:
bonds (distance) C4'-P energy: -131.080
bonds (distance) P-C4' energy: -135.260
flat angles C4'-P-C4' energy: -157.621
flat angles P-C4'-P energy: -104.767
tors. eta vs tors. theta energy: -135.860
Dist. restrs. and SS energy: 3.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1927.752095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.752095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.089752 (E_RNA)
where:
Base-Base interactions energy: -1297.316
where: short stacking energy: -550.277
Base-Backbone interact. energy: -0.175
local terms energy: -635.599007
where:
bonds (distance) C4'-P energy: -121.334
bonds (distance) P-C4' energy: -131.103
flat angles C4'-P-C4' energy: -147.625
flat angles P-C4'-P energy: -86.646
tors. eta vs tors. theta energy: -148.892
Dist. restrs. and SS energy: 5.338 (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: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1855.470498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.470498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.288836 (E_RNA)
where:
Base-Base interactions energy: -1294.253
where: short stacking energy: -525.692
Base-Backbone interact. energy: 3.342
local terms energy: -570.377804
where:
bonds (distance) C4'-P energy: -131.669
bonds (distance) P-C4' energy: -107.445
flat angles C4'-P-C4' energy: -126.259
flat angles P-C4'-P energy: -73.403
tors. eta vs tors. theta energy: -131.602
Dist. restrs. and SS energy: 5.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2889.366507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.366507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.238897 (E_RNA)
where:
Base-Base interactions energy: -2016.616
where: short stacking energy: -830.568
Base-Backbone interact. energy: -0.393
local terms energy: -873.229685
where:
bonds (distance) C4'-P energy: -159.846
bonds (distance) P-C4' energy: -160.957
flat angles C4'-P-C4' energy: -188.895
flat angles P-C4'-P energy: -121.321
tors. eta vs tors. theta energy: -242.210
Dist. restrs. and SS energy: 0.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2841.669427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.669427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.447990 (E_RNA)
where:
Base-Base interactions energy: -1959.063
where: short stacking energy: -827.137
Base-Backbone interact. energy: 4.419
local terms energy: -887.803390
where:
bonds (distance) C4'-P energy: -156.402
bonds (distance) P-C4' energy: -162.236
flat angles C4'-P-C4' energy: -203.189
flat angles P-C4'-P energy: -114.535
tors. eta vs tors. theta energy: -251.441
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2603.451036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.451036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.677326 (E_RNA)
where:
Base-Base interactions energy: -1764.983
where: short stacking energy: -773.289
Base-Backbone interact. energy: -4.835
local terms energy: -835.859090
where:
bonds (distance) C4'-P energy: -152.835
bonds (distance) P-C4' energy: -158.344
flat angles C4'-P-C4' energy: -180.260
flat angles P-C4'-P energy: -118.463
tors. eta vs tors. theta energy: -225.957
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: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2510.358828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.358828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.655803 (E_RNA)
where:
Base-Base interactions energy: -1716.931
where: short stacking energy: -725.749
Base-Backbone interact. energy: 3.192
local terms energy: -798.916932
where:
bonds (distance) C4'-P energy: -153.031
bonds (distance) P-C4' energy: -157.960
flat angles C4'-P-C4' energy: -167.832
flat angles P-C4'-P energy: -111.017
tors. eta vs tors. theta energy: -209.076
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: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2292.380990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.380990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.495446 (E_RNA)
where:
Base-Base interactions energy: -1538.640
where: short stacking energy: -651.654
Base-Backbone interact. energy: -4.128
local terms energy: -750.727589
where:
bonds (distance) C4'-P energy: -130.341
bonds (distance) P-C4' energy: -162.559
flat angles C4'-P-C4' energy: -162.865
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -193.275
Dist. restrs. and SS energy: 1.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2251.300685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.300685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.002265 (E_RNA)
where:
Base-Base interactions energy: -1548.126
where: short stacking energy: -643.232
Base-Backbone interact. energy: 3.071
local terms energy: -707.947556
where:
bonds (distance) C4'-P energy: -140.170
bonds (distance) P-C4' energy: -148.099
flat angles C4'-P-C4' energy: -148.072
flat angles P-C4'-P energy: -102.341
tors. eta vs tors. theta energy: -169.265
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2075.663944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.663944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.819622 (E_RNA)
where:
Base-Base interactions energy: -1396.293
where: short stacking energy: -600.055
Base-Backbone interact. energy: -1.190
local terms energy: -680.336841
where:
bonds (distance) C4'-P energy: -112.097
bonds (distance) P-C4' energy: -146.238
flat angles C4'-P-C4' energy: -162.294
flat angles P-C4'-P energy: -101.187
tors. eta vs tors. theta energy: -158.521
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2043.423909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.423909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.595464 (E_RNA)
where:
Base-Base interactions energy: -1376.507
where: short stacking energy: -584.952
Base-Backbone interact. energy: -1.716
local terms energy: -668.371856
where:
bonds (distance) C4'-P energy: -130.950
bonds (distance) P-C4' energy: -128.319
flat angles C4'-P-C4' energy: -153.450
flat angles P-C4'-P energy: -99.447
tors. eta vs tors. theta energy: -156.205
Dist. restrs. and SS energy: 3.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1939.996414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.996414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.223450 (E_RNA)
where:
Base-Base interactions energy: -1330.563
where: short stacking energy: -552.935
Base-Backbone interact. energy: -0.214
local terms energy: -611.446706
where:
bonds (distance) C4'-P energy: -111.026
bonds (distance) P-C4' energy: -146.324
flat angles C4'-P-C4' energy: -127.497
flat angles P-C4'-P energy: -84.912
tors. eta vs tors. theta energy: -141.688
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1871.025993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.025993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.012683 (E_RNA)
where:
Base-Base interactions energy: -1265.775
where: short stacking energy: -530.446
Base-Backbone interact. energy: -2.048
local terms energy: -607.189812
where:
bonds (distance) C4'-P energy: -135.670
bonds (distance) P-C4' energy: -106.115
flat angles C4'-P-C4' energy: -153.607
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -134.979
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2888.604942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.604942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.033941 (E_RNA)
where:
Base-Base interactions energy: -1990.957
where: short stacking energy: -825.405
Base-Backbone interact. energy: -2.229
local terms energy: -896.848442
where:
bonds (distance) C4'-P energy: -159.924
bonds (distance) P-C4' energy: -188.844
flat angles C4'-P-C4' energy: -177.774
flat angles P-C4'-P energy: -126.026
tors. eta vs tors. theta energy: -244.281
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2832.427555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.427555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.544758 (E_RNA)
where:
Base-Base interactions energy: -1966.752
where: short stacking energy: -810.380
Base-Backbone interact. energy: -1.640
local terms energy: -865.152401
where:
bonds (distance) C4'-P energy: -167.460
bonds (distance) P-C4' energy: -166.012
flat angles C4'-P-C4' energy: -180.069
flat angles P-C4'-P energy: -121.447
tors. eta vs tors. theta energy: -230.165
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: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2646.613709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.613709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.074368 (E_RNA)
where:
Base-Base interactions energy: -1796.241
where: short stacking energy: -773.897
Base-Backbone interact. energy: 0.457
local terms energy: -852.290189
where:
bonds (distance) C4'-P energy: -162.791
bonds (distance) P-C4' energy: -157.396
flat angles C4'-P-C4' energy: -173.908
flat angles P-C4'-P energy: -131.342
tors. eta vs tors. theta energy: -226.853
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: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2549.069483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.069483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.262321 (E_RNA)
where:
Base-Base interactions energy: -1752.517
where: short stacking energy: -743.959
Base-Backbone interact. energy: -1.258
local terms energy: -796.486886
where:
bonds (distance) C4'-P energy: -134.011
bonds (distance) P-C4' energy: -150.701
flat angles C4'-P-C4' energy: -172.084
flat angles P-C4'-P energy: -119.043
tors. eta vs tors. theta energy: -220.648
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: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2385.587112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.587112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.335118 (E_RNA)
where:
Base-Base interactions energy: -1649.724
where: short stacking energy: -697.744
Base-Backbone interact. energy: -0.580
local terms energy: -737.031223
where:
bonds (distance) C4'-P energy: -136.218
bonds (distance) P-C4' energy: -139.796
flat angles C4'-P-C4' energy: -170.963
flat angles P-C4'-P energy: -112.010
tors. eta vs tors. theta energy: -178.044
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: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2229.664386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.664386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.045749 (E_RNA)
where:
Base-Base interactions energy: -1531.265
where: short stacking energy: -640.268
Base-Backbone interact. energy: 2.943
local terms energy: -702.723754
where:
bonds (distance) C4'-P energy: -149.068
bonds (distance) P-C4' energy: -127.989
flat angles C4'-P-C4' energy: -164.699
flat angles P-C4'-P energy: -84.809
tors. eta vs tors. theta energy: -176.158
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2100.313324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.313324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.784339 (E_RNA)
where:
Base-Base interactions energy: -1431.219
where: short stacking energy: -606.323
Base-Backbone interact. energy: -1.898
local terms energy: -669.666807
where:
bonds (distance) C4'-P energy: -137.846
bonds (distance) P-C4' energy: -133.196
flat angles C4'-P-C4' energy: -144.851
flat angles P-C4'-P energy: -91.799
tors. eta vs tors. theta energy: -161.974
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: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2046.758690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.758690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.251681 (E_RNA)
where:
Base-Base interactions energy: -1389.750
where: short stacking energy: -579.253
Base-Backbone interact. energy: -2.499
local terms energy: -656.002119
where:
bonds (distance) C4'-P energy: -136.645
bonds (distance) P-C4' energy: -121.641
flat angles C4'-P-C4' energy: -135.274
flat angles P-C4'-P energy: -113.563
tors. eta vs tors. theta energy: -148.880
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1936.077629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.077629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.646185 (E_RNA)
where:
Base-Base interactions energy: -1269.512
where: short stacking energy: -549.260
Base-Backbone interact. energy: -0.619
local terms energy: -671.514965
where:
bonds (distance) C4'-P energy: -137.695
bonds (distance) P-C4' energy: -139.377
flat angles C4'-P-C4' energy: -150.283
flat angles P-C4'-P energy: -96.561
tors. eta vs tors. theta energy: -147.599
Dist. restrs. and SS energy: 5.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1856.555554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.555554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.886133 (E_RNA)
where:
Base-Base interactions energy: -1254.856
where: short stacking energy: -513.977
Base-Backbone interact. energy: -3.342
local terms energy: -602.688738
where:
bonds (distance) C4'-P energy: -121.806
bonds (distance) P-C4' energy: -142.860
flat angles C4'-P-C4' energy: -122.367
flat angles P-C4'-P energy: -92.472
tors. eta vs tors. theta energy: -123.183
Dist. restrs. and SS energy: 4.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2908.780968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.780968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.794932 (E_RNA)
where:
Base-Base interactions energy: -2024.602
where: short stacking energy: -796.338
Base-Backbone interact. energy: -3.916
local terms energy: -881.276753
where:
bonds (distance) C4'-P energy: -170.635
bonds (distance) P-C4' energy: -153.618
flat angles C4'-P-C4' energy: -183.864
flat angles P-C4'-P energy: -128.737
tors. eta vs tors. theta energy: -244.424
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: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2796.798027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.798027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.241432 (E_RNA)
where:
Base-Base interactions energy: -1930.311
where: short stacking energy: -807.029
Base-Backbone interact. energy: -4.156
local terms energy: -863.773822
where:
bonds (distance) C4'-P energy: -149.817
bonds (distance) P-C4' energy: -162.846
flat angles C4'-P-C4' energy: -179.790
flat angles P-C4'-P energy: -127.335
tors. eta vs tors. theta energy: -243.985
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2645.360495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.360495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.251917 (E_RNA)
where:
Base-Base interactions energy: -1833.398
where: short stacking energy: -777.137
Base-Backbone interact. energy: -2.432
local terms energy: -811.421999
where:
bonds (distance) C4'-P energy: -154.533
bonds (distance) P-C4' energy: -149.031
flat angles C4'-P-C4' energy: -170.577
flat angles P-C4'-P energy: -120.906
tors. eta vs tors. theta energy: -216.375
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2543.661002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.661002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.622592 (E_RNA)
where:
Base-Base interactions energy: -1767.777
where: short stacking energy: -759.377
Base-Backbone interact. energy: -0.609
local terms energy: -777.236705
where:
bonds (distance) C4'-P energy: -132.336
bonds (distance) P-C4' energy: -141.372
flat angles C4'-P-C4' energy: -170.797
flat angles P-C4'-P energy: -112.871
tors. eta vs tors. theta energy: -219.861
Dist. restrs. and SS energy: 1.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2395.430399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.430399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.459917 (E_RNA)
where:
Base-Base interactions energy: -1624.438
where: short stacking energy: -695.645
Base-Backbone interact. energy: -0.197
local terms energy: -772.825323
where:
bonds (distance) C4'-P energy: -147.049
bonds (distance) P-C4' energy: -138.065
flat angles C4'-P-C4' energy: -178.064
flat angles P-C4'-P energy: -114.650
tors. eta vs tors. theta energy: -194.997
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2254.158241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.158241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.528401 (E_RNA)
where:
Base-Base interactions energy: -1522.324
where: short stacking energy: -628.854
Base-Backbone interact. energy: -4.017
local terms energy: -730.187432
where:
bonds (distance) C4'-P energy: -151.607
bonds (distance) P-C4' energy: -145.932
flat angles C4'-P-C4' energy: -161.561
flat angles P-C4'-P energy: -97.599
tors. eta vs tors. theta energy: -173.488
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: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2148.265559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.265559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.660767 (E_RNA)
where:
Base-Base interactions energy: -1458.887
where: short stacking energy: -610.171
Base-Backbone interact. energy: -0.381
local terms energy: -691.393210
where:
bonds (distance) C4'-P energy: -134.110
bonds (distance) P-C4' energy: -134.681
flat angles C4'-P-C4' energy: -146.876
flat angles P-C4'-P energy: -98.541
tors. eta vs tors. theta energy: -177.185
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: 198
Temperature: 1.250000
Total energy: -2048.958504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.958504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.039400 (E_RNA)
where:
Base-Base interactions energy: -1404.238
where: short stacking energy: -587.943
Base-Backbone interact. energy: -2.617
local terms energy: -644.184350
where:
bonds (distance) C4'-P energy: -117.101
bonds (distance) P-C4' energy: -143.662
flat angles C4'-P-C4' energy: -148.538
flat angles P-C4'-P energy: -96.772
tors. eta vs tors. theta energy: -138.112
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1914.905128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.905128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.573915 (E_RNA)
where:
Base-Base interactions energy: -1316.369
where: short stacking energy: -539.622
Base-Backbone interact. energy: -0.695
local terms energy: -600.509740
where:
bonds (distance) C4'-P energy: -122.020
bonds (distance) P-C4' energy: -129.424
flat angles C4'-P-C4' energy: -145.872
flat angles P-C4'-P energy: -79.624
tors. eta vs tors. theta energy: -123.569
Dist. restrs. and SS energy: 2.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1852.177868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.177868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.039881 (E_RNA)
where:
Base-Base interactions energy: -1262.996
where: short stacking energy: -529.602
Base-Backbone interact. energy: 2.861
local terms energy: -598.905332
where:
bonds (distance) C4'-P energy: -112.278
bonds (distance) P-C4' energy: -128.016
flat angles C4'-P-C4' energy: -153.037
flat angles P-C4'-P energy: -89.588
tors. eta vs tors. theta energy: -115.987
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: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2867.705104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.705104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.944913 (E_RNA)
where:
Base-Base interactions energy: -2003.453
where: short stacking energy: -816.189
Base-Backbone interact. energy: -2.421
local terms energy: -864.071617
where:
bonds (distance) C4'-P energy: -154.861
bonds (distance) P-C4' energy: -159.484
flat angles C4'-P-C4' energy: -185.577
flat angles P-C4'-P energy: -126.917
tors. eta vs tors. theta energy: -237.232
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: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2839.748491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.748491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.983857 (E_RNA)
where:
Base-Base interactions energy: -1979.203
where: short stacking energy: -821.156
Base-Backbone interact. energy: 0.264
local terms energy: -862.044858
where:
bonds (distance) C4'-P energy: -155.767
bonds (distance) P-C4' energy: -160.201
flat angles C4'-P-C4' energy: -188.590
flat angles P-C4'-P energy: -118.420
tors. eta vs tors. theta energy: -239.066
Dist. restrs. and SS energy: 1.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2629.783336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.783336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.910318 (E_RNA)
where:
Base-Base interactions energy: -1803.037
where: short stacking energy: -766.249
Base-Backbone interact. energy: 0.953
local terms energy: -829.825627
where:
bonds (distance) C4'-P energy: -154.257
bonds (distance) P-C4' energy: -149.861
flat angles C4'-P-C4' energy: -169.208
flat angles P-C4'-P energy: -116.148
tors. eta vs tors. theta energy: -240.352
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2555.179336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.179336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.946762 (E_RNA)
where:
Base-Base interactions energy: -1737.102
where: short stacking energy: -742.822
Base-Backbone interact. energy: 3.520
local terms energy: -823.364841
where:
bonds (distance) C4'-P energy: -151.005
bonds (distance) P-C4' energy: -155.218
flat angles C4'-P-C4' energy: -170.530
flat angles P-C4'-P energy: -130.748
tors. eta vs tors. theta energy: -215.864
Dist. restrs. and SS energy: 1.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2366.046738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.046738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.550655 (E_RNA)
where:
Base-Base interactions energy: -1644.874
where: short stacking energy: -680.834
Base-Backbone interact. energy: -3.846
local terms energy: -718.830837
where:
bonds (distance) C4'-P energy: -143.800
bonds (distance) P-C4' energy: -125.601
flat angles C4'-P-C4' energy: -172.020
flat angles P-C4'-P energy: -92.818
tors. eta vs tors. theta energy: -184.593
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: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2248.084870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.084870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.658726 (E_RNA)
where:
Base-Base interactions energy: -1532.510
where: short stacking energy: -637.845
Base-Backbone interact. energy: 0.009
local terms energy: -717.157625
where:
bonds (distance) C4'-P energy: -131.754
bonds (distance) P-C4' energy: -146.681
flat angles C4'-P-C4' energy: -165.000
flat angles P-C4'-P energy: -97.208
tors. eta vs tors. theta energy: -176.514
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: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2115.837160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.837160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.145122 (E_RNA)
where:
Base-Base interactions energy: -1415.855
where: short stacking energy: -620.400
Base-Backbone interact. energy: 1.851
local terms energy: -704.141351
where:
bonds (distance) C4'-P energy: -131.653
bonds (distance) P-C4' energy: -154.834
flat angles C4'-P-C4' energy: -144.571
flat angles P-C4'-P energy: -97.269
tors. eta vs tors. theta energy: -175.814
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: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2025.503987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.503987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.400602 (E_RNA)
where:
Base-Base interactions energy: -1379.854
where: short stacking energy: -573.658
Base-Backbone interact. energy: -0.863
local terms energy: -646.683620
where:
bonds (distance) C4'-P energy: -116.456
bonds (distance) P-C4' energy: -134.330
flat angles C4'-P-C4' energy: -148.245
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: -153.583
Dist. restrs. and SS energy: 1.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1945.137386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.137386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.815574 (E_RNA)
where:
Base-Base interactions energy: -1341.931
where: short stacking energy: -572.004
Base-Backbone interact. energy: 4.537
local terms energy: -610.421455
where:
bonds (distance) C4'-P energy: -115.216
bonds (distance) P-C4' energy: -115.083
flat angles C4'-P-C4' energy: -142.161
flat angles P-C4'-P energy: -86.020
tors. eta vs tors. theta energy: -151.942
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: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1877.411764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.411764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.592981 (E_RNA)
where:
Base-Base interactions energy: -1276.412
where: short stacking energy: -531.158
Base-Backbone interact. energy: -2.401
local terms energy: -600.779523
where:
bonds (distance) C4'-P energy: -125.554
bonds (distance) P-C4' energy: -137.412
flat angles C4'-P-C4' energy: -136.572
flat angles P-C4'-P energy: -77.507
tors. eta vs tors. theta energy: -123.735
Dist. restrs. and SS energy: 2.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2864.046571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.046571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.607149 (E_RNA)
where:
Base-Base interactions energy: -1991.328
where: short stacking energy: -826.658
Base-Backbone interact. energy: 1.053
local terms energy: -875.332148
where:
bonds (distance) C4'-P energy: -162.555
bonds (distance) P-C4' energy: -166.759
flat angles C4'-P-C4' energy: -188.022
flat angles P-C4'-P energy: -120.026
tors. eta vs tors. theta energy: -237.969
Dist. restrs. and SS energy: 1.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2824.597760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.597760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.884427 (E_RNA)
where:
Base-Base interactions energy: -1988.169
where: short stacking energy: -809.653
Base-Backbone interact. energy: -1.127
local terms energy: -836.587846
where:
bonds (distance) C4'-P energy: -152.803
bonds (distance) P-C4' energy: -165.886
flat angles C4'-P-C4' energy: -174.090
flat angles P-C4'-P energy: -117.219
tors. eta vs tors. theta energy: -226.589
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: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2642.132318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.132318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.493672 (E_RNA)
where:
Base-Base interactions energy: -1786.437
where: short stacking energy: -745.247
Base-Backbone interact. energy: -2.334
local terms energy: -854.722725
where:
bonds (distance) C4'-P energy: -157.881
bonds (distance) P-C4' energy: -147.764
flat angles C4'-P-C4' energy: -188.061
flat angles P-C4'-P energy: -126.422
tors. eta vs tors. theta energy: -234.595
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2549.072448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.072448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.956999 (E_RNA)
where:
Base-Base interactions energy: -1750.727
where: short stacking energy: -714.566
Base-Backbone interact. energy: -3.035
local terms energy: -796.194857
where:
bonds (distance) C4'-P energy: -147.765
bonds (distance) P-C4' energy: -162.417
flat angles C4'-P-C4' energy: -177.455
flat angles P-C4'-P energy: -112.132
tors. eta vs tors. theta energy: -196.426
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2412.684656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.684656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.099079 (E_RNA)
where:
Base-Base interactions energy: -1651.673
where: short stacking energy: -685.560
Base-Backbone interact. energy: 1.944
local terms energy: -764.370169
where:
bonds (distance) C4'-P energy: -149.480
bonds (distance) P-C4' energy: -149.745
flat angles C4'-P-C4' energy: -177.828
flat angles P-C4'-P energy: -91.242
tors. eta vs tors. theta energy: -196.076
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: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2283.629637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.629637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.315266 (E_RNA)
where:
Base-Base interactions energy: -1575.299
where: short stacking energy: -658.215
Base-Backbone interact. energy: 0.738
local terms energy: -711.754361
where:
bonds (distance) C4'-P energy: -141.701
bonds (distance) P-C4' energy: -127.797
flat angles C4'-P-C4' energy: -158.984
flat angles P-C4'-P energy: -100.122
tors. eta vs tors. theta energy: -183.150
Dist. restrs. and SS energy: 2.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2175.479181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.479181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.934543 (E_RNA)
where:
Base-Base interactions energy: -1459.505
where: short stacking energy: -644.401
Base-Backbone interact. energy: -2.375
local terms energy: -716.054579
where:
bonds (distance) C4'-P energy: -141.835
bonds (distance) P-C4' energy: -134.581
flat angles C4'-P-C4' energy: -159.040
flat angles P-C4'-P energy: -105.949
tors. eta vs tors. theta energy: -174.650
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2026.390223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.390223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.843943 (E_RNA)
where:
Base-Base interactions energy: -1345.091
where: short stacking energy: -577.808
Base-Backbone interact. energy: -2.854
local terms energy: -680.898731
where:
bonds (distance) C4'-P energy: -124.952
bonds (distance) P-C4' energy: -147.183
flat angles C4'-P-C4' energy: -152.196
flat angles P-C4'-P energy: -101.554
tors. eta vs tors. theta energy: -155.014
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: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1978.865751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.865751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.857546 (E_RNA)
where:
Base-Base interactions energy: -1342.916
where: short stacking energy: -587.712
Base-Backbone interact. energy: -2.245
local terms energy: -635.697167
where:
bonds (distance) C4'-P energy: -117.336
bonds (distance) P-C4' energy: -129.661
flat angles C4'-P-C4' energy: -130.879
flat angles P-C4'-P energy: -96.606
tors. eta vs tors. theta energy: -161.216
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: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1865.553314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.553314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.107684 (E_RNA)
where:
Base-Base interactions energy: -1274.331
where: short stacking energy: -525.508
Base-Backbone interact. energy: -0.584
local terms energy: -593.193324
where:
bonds (distance) C4'-P energy: -130.443
bonds (distance) P-C4' energy: -127.406
flat angles C4'-P-C4' energy: -131.484
flat angles P-C4'-P energy: -63.604
tors. eta vs tors. theta energy: -140.257
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2856.793150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.793150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.607256 (E_RNA)
where:
Base-Base interactions energy: -1960.708
where: short stacking energy: -800.535
Base-Backbone interact. energy: -2.437
local terms energy: -894.461687
where:
bonds (distance) C4'-P energy: -175.669
bonds (distance) P-C4' energy: -163.664
flat angles C4'-P-C4' energy: -193.877
flat angles P-C4'-P energy: -123.569
tors. eta vs tors. theta energy: -237.683
Dist. restrs. and SS energy: 0.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2793.936558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.936558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.939255 (E_RNA)
where:
Base-Base interactions energy: -1959.779
where: short stacking energy: -823.398
Base-Backbone interact. energy: -5.752
local terms energy: -830.408409
where:
bonds (distance) C4'-P energy: -141.591
bonds (distance) P-C4' energy: -152.543
flat angles C4'-P-C4' energy: -178.088
flat angles P-C4'-P energy: -115.890
tors. eta vs tors. theta energy: -242.297
Dist. restrs. and SS energy: 2.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2653.699647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.699647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.135837 (E_RNA)
where:
Base-Base interactions energy: -1819.403
where: short stacking energy: -789.860
Base-Backbone interact. energy: -5.029
local terms energy: -830.703885
where:
bonds (distance) C4'-P energy: -129.704
bonds (distance) P-C4' energy: -167.456
flat angles C4'-P-C4' energy: -180.126
flat angles P-C4'-P energy: -113.933
tors. eta vs tors. theta energy: -239.485
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: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2521.933795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.933795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.596254 (E_RNA)
where:
Base-Base interactions energy: -1725.488
where: short stacking energy: -736.688
Base-Backbone interact. energy: 1.501
local terms energy: -799.609559
where:
bonds (distance) C4'-P energy: -152.576
bonds (distance) P-C4' energy: -139.691
flat angles C4'-P-C4' energy: -166.095
flat angles P-C4'-P energy: -116.562
tors. eta vs tors. theta energy: -224.685
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: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2394.977448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.977448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.829313 (E_RNA)
where:
Base-Base interactions energy: -1635.524
where: short stacking energy: -688.063
Base-Backbone interact. energy: 4.360
local terms energy: -765.665345
where:
bonds (distance) C4'-P energy: -119.249
bonds (distance) P-C4' energy: -145.601
flat angles C4'-P-C4' energy: -170.770
flat angles P-C4'-P energy: -114.401
tors. eta vs tors. theta energy: -215.644
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: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2209.030309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.030309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.845269 (E_RNA)
where:
Base-Base interactions energy: -1491.624
where: short stacking energy: -611.546
Base-Backbone interact. energy: 2.443
local terms energy: -721.664236
where:
bonds (distance) C4'-P energy: -144.839
bonds (distance) P-C4' energy: -158.127
flat angles C4'-P-C4' energy: -142.341
flat angles P-C4'-P energy: -113.454
tors. eta vs tors. theta energy: -162.903
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: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2102.688628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.688628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.788326 (E_RNA)
where:
Base-Base interactions energy: -1459.418
where: short stacking energy: -595.791
Base-Backbone interact. energy: 0.158
local terms energy: -645.528965
where:
bonds (distance) C4'-P energy: -120.796
bonds (distance) P-C4' energy: -120.996
flat angles C4'-P-C4' energy: -144.701
flat angles P-C4'-P energy: -92.633
tors. eta vs tors. theta energy: -166.403
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: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2022.831493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.831493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.790962 (E_RNA)
where:
Base-Base interactions energy: -1339.342
where: short stacking energy: -580.380
Base-Backbone interact. energy: -1.779
local terms energy: -684.670196
where:
bonds (distance) C4'-P energy: -126.761
bonds (distance) P-C4' energy: -161.479
flat angles C4'-P-C4' energy: -145.347
flat angles P-C4'-P energy: -100.196
tors. eta vs tors. theta energy: -150.888
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1934.679154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.679154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.769374 (E_RNA)
where:
Base-Base interactions energy: -1333.611
where: short stacking energy: -556.845
Base-Backbone interact. energy: 7.321
local terms energy: -611.479333
where:
bonds (distance) C4'-P energy: -115.466
bonds (distance) P-C4' energy: -125.860
flat angles C4'-P-C4' energy: -138.740
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -152.730
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1856.595223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.595223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.202696 (E_RNA)
where:
Base-Base interactions energy: -1309.959
where: short stacking energy: -573.864
Base-Backbone interact. energy: -2.994
local terms energy: -548.249200
where:
bonds (distance) C4'-P energy: -94.058
bonds (distance) P-C4' energy: -120.072
flat angles C4'-P-C4' energy: -138.987
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -128.401
Dist. restrs. and SS energy: 4.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2862.080146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.080146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.989745 (E_RNA)
where:
Base-Base interactions energy: -1996.130
where: short stacking energy: -822.217
Base-Backbone interact. energy: -3.172
local terms energy: -863.687552
where:
bonds (distance) C4'-P energy: -154.857
bonds (distance) P-C4' energy: -163.961
flat angles C4'-P-C4' energy: -182.990
flat angles P-C4'-P energy: -118.632
tors. eta vs tors. theta energy: -243.248
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2808.775133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.775133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.907154 (E_RNA)
where:
Base-Base interactions energy: -1957.720
where: short stacking energy: -815.217
Base-Backbone interact. energy: 1.119
local terms energy: -854.305920
where:
bonds (distance) C4'-P energy: -156.746
bonds (distance) P-C4' energy: -164.212
flat angles C4'-P-C4' energy: -179.722
flat angles P-C4'-P energy: -119.879
tors. eta vs tors. theta energy: -233.746
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: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2657.193362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.193362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.018974 (E_RNA)
where:
Base-Base interactions energy: -1833.466
where: short stacking energy: -777.160
Base-Backbone interact. energy: -5.261
local terms energy: -820.292244
where:
bonds (distance) C4'-P energy: -146.051
bonds (distance) P-C4' energy: -147.934
flat angles C4'-P-C4' energy: -163.482
flat angles P-C4'-P energy: -131.128
tors. eta vs tors. theta energy: -231.697
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: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2476.752365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.752365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.269114 (E_RNA)
where:
Base-Base interactions energy: -1708.903
where: short stacking energy: -737.043
Base-Backbone interact. energy: 2.606
local terms energy: -773.972114
where:
bonds (distance) C4'-P energy: -149.300
bonds (distance) P-C4' energy: -140.943
flat angles C4'-P-C4' energy: -162.127
flat angles P-C4'-P energy: -108.162
tors. eta vs tors. theta energy: -213.440
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2364.828087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.828087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.743049 (E_RNA)
where:
Base-Base interactions energy: -1615.470
where: short stacking energy: -697.736
Base-Backbone interact. energy: 5.374
local terms energy: -756.646667
where:
bonds (distance) C4'-P energy: -143.787
bonds (distance) P-C4' energy: -137.578
flat angles C4'-P-C4' energy: -161.993
flat angles P-C4'-P energy: -115.055
tors. eta vs tors. theta energy: -198.233
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: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2246.031640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.031640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.208179 (E_RNA)
where:
Base-Base interactions energy: -1492.376
where: short stacking energy: -633.998
Base-Backbone interact. energy: -0.074
local terms energy: -758.758555
where:
bonds (distance) C4'-P energy: -153.351
bonds (distance) P-C4' energy: -147.251
flat angles C4'-P-C4' energy: -166.782
flat angles P-C4'-P energy: -114.039
tors. eta vs tors. theta energy: -177.335
Dist. restrs. and SS energy: 5.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2072.530675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.530675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.207566 (E_RNA)
where:
Base-Base interactions energy: -1389.537
where: short stacking energy: -613.833
Base-Backbone interact. energy: -1.736
local terms energy: -683.934705
where:
bonds (distance) C4'-P energy: -141.402
bonds (distance) P-C4' energy: -135.025
flat angles C4'-P-C4' energy: -150.729
flat angles P-C4'-P energy: -91.620
tors. eta vs tors. theta energy: -165.159
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: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2000.723517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.723517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.309493 (E_RNA)
where:
Base-Base interactions energy: -1334.992
where: short stacking energy: -576.204
Base-Backbone interact. energy: -1.098
local terms energy: -668.219273
where:
bonds (distance) C4'-P energy: -128.893
bonds (distance) P-C4' energy: -137.630
flat angles C4'-P-C4' energy: -140.363
flat angles P-C4'-P energy: -108.986
tors. eta vs tors. theta energy: -152.347
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: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1915.218538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.218538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.569832 (E_RNA)
where:
Base-Base interactions energy: -1316.689
where: short stacking energy: -568.465
Base-Backbone interact. energy: -3.557
local terms energy: -599.323850
where:
bonds (distance) C4'-P energy: -127.265
bonds (distance) P-C4' energy: -114.789
flat angles C4'-P-C4' energy: -117.880
flat angles P-C4'-P energy: -83.677
tors. eta vs tors. theta energy: -155.713
Dist. restrs. and SS energy: 4.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1845.565443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.565443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.095183 (E_RNA)
where:
Base-Base interactions energy: -1239.101
where: short stacking energy: -528.522
Base-Backbone interact. energy: 3.252
local terms energy: -613.246359
where:
bonds (distance) C4'-P energy: -118.503
bonds (distance) P-C4' energy: -116.086
flat angles C4'-P-C4' energy: -152.953
flat angles P-C4'-P energy: -92.368
tors. eta vs tors. theta energy: -133.336
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: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2894.751738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.751738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.753406 (E_RNA)
where:
Base-Base interactions energy: -2016.291
where: short stacking energy: -813.098
Base-Backbone interact. energy: 4.234
local terms energy: -883.696241
where:
bonds (distance) C4'-P energy: -160.848
bonds (distance) P-C4' energy: -159.735
flat angles C4'-P-C4' energy: -184.535
flat angles P-C4'-P energy: -130.734
tors. eta vs tors. theta energy: -247.843
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: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2776.625207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.625207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.407505 (E_RNA)
where:
Base-Base interactions energy: -1929.461
where: short stacking energy: -801.599
Base-Backbone interact. energy: -0.078
local terms energy: -848.868721
where:
bonds (distance) C4'-P energy: -163.129
bonds (distance) P-C4' energy: -153.920
flat angles C4'-P-C4' energy: -177.882
flat angles P-C4'-P energy: -122.004
tors. eta vs tors. theta energy: -231.934
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2704.184277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.184277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.088335 (E_RNA)
where:
Base-Base interactions energy: -1853.566
where: short stacking energy: -768.596
Base-Backbone interact. energy: -0.212
local terms energy: -851.310527
where:
bonds (distance) C4'-P energy: -161.810
bonds (distance) P-C4' energy: -159.305
flat angles C4'-P-C4' energy: -182.356
flat angles P-C4'-P energy: -120.088
tors. eta vs tors. theta energy: -227.750
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2505.099605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.099605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.526030 (E_RNA)
where:
Base-Base interactions energy: -1734.281
where: short stacking energy: -709.877
Base-Backbone interact. energy: 3.828
local terms energy: -776.072175
where:
bonds (distance) C4'-P energy: -139.023
bonds (distance) P-C4' energy: -147.100
flat angles C4'-P-C4' energy: -148.451
flat angles P-C4'-P energy: -122.031
tors. eta vs tors. theta energy: -219.467
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: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2369.191527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.191527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.635173 (E_RNA)
where:
Base-Base interactions energy: -1628.224
where: short stacking energy: -690.280
Base-Backbone interact. energy: 3.229
local terms energy: -745.639991
where:
bonds (distance) C4'-P energy: -149.037
bonds (distance) P-C4' energy: -128.654
flat angles C4'-P-C4' energy: -169.018
flat angles P-C4'-P energy: -100.198
tors. eta vs tors. theta energy: -198.733
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: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2285.380058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.380058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.968033 (E_RNA)
where:
Base-Base interactions energy: -1571.588
where: short stacking energy: -672.861
Base-Backbone interact. energy: -1.151
local terms energy: -715.229242
where:
bonds (distance) C4'-P energy: -126.983
bonds (distance) P-C4' energy: -137.335
flat angles C4'-P-C4' energy: -168.601
flat angles P-C4'-P energy: -92.718
tors. eta vs tors. theta energy: -189.592
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: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2094.252410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.252410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.452737 (E_RNA)
where:
Base-Base interactions energy: -1385.414
where: short stacking energy: -574.554
Base-Backbone interact. energy: -2.194
local terms energy: -710.844951
where:
bonds (distance) C4'-P energy: -145.601
bonds (distance) P-C4' energy: -146.502
flat angles C4'-P-C4' energy: -160.945
flat angles P-C4'-P energy: -101.364
tors. eta vs tors. theta energy: -156.433
Dist. restrs. and SS energy: 4.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2015.647386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.647386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.289211 (E_RNA)
where:
Base-Base interactions energy: -1358.376
where: short stacking energy: -556.596
Base-Backbone interact. energy: -3.379
local terms energy: -657.533576
where:
bonds (distance) C4'-P energy: -124.630
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -161.288
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -148.330
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: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1917.890304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.890304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.610344 (E_RNA)
where:
Base-Base interactions energy: -1302.043
where: short stacking energy: -541.383
Base-Backbone interact. energy: 1.376
local terms energy: -620.943546
where:
bonds (distance) C4'-P energy: -129.968
bonds (distance) P-C4' energy: -115.842
flat angles C4'-P-C4' energy: -151.854
flat angles P-C4'-P energy: -81.595
tors. eta vs tors. theta energy: -141.683
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: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1918.741927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.741927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.915154 (E_RNA)
where:
Base-Base interactions energy: -1320.297
where: short stacking energy: -567.344
Base-Backbone interact. energy: 1.892
local terms energy: -604.510573
where:
bonds (distance) C4'-P energy: -127.001
bonds (distance) P-C4' energy: -130.495
flat angles C4'-P-C4' energy: -132.210
flat angles P-C4'-P energy: -78.984
tors. eta vs tors. theta energy: -135.821
Dist. restrs. and SS energy: 4.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2903.418604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.418604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.679103 (E_RNA)
where:
Base-Base interactions energy: -2009.391
where: short stacking energy: -834.620
Base-Backbone interact. energy: -1.069
local terms energy: -894.219417
where:
bonds (distance) C4'-P energy: -171.272
bonds (distance) P-C4' energy: -182.206
flat angles C4'-P-C4' energy: -172.993
flat angles P-C4'-P energy: -121.899
tors. eta vs tors. theta energy: -245.849
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: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2806.155253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.155253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.561141 (E_RNA)
where:
Base-Base interactions energy: -1937.274
where: short stacking energy: -829.332
Base-Backbone interact. energy: -1.730
local terms energy: -869.556793
where:
bonds (distance) C4'-P energy: -158.578
bonds (distance) P-C4' energy: -170.252
flat angles C4'-P-C4' energy: -180.754
flat angles P-C4'-P energy: -119.086
tors. eta vs tors. theta energy: -240.887
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: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2689.210018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.210018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.442646 (E_RNA)
where:
Base-Base interactions energy: -1852.245
where: short stacking energy: -771.331
Base-Backbone interact. energy: -1.441
local terms energy: -836.757449
where:
bonds (distance) C4'-P energy: -157.297
bonds (distance) P-C4' energy: -158.325
flat angles C4'-P-C4' energy: -179.678
flat angles P-C4'-P energy: -117.393
tors. eta vs tors. theta energy: -224.065
Dist. restrs. and SS energy: 1.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2479.035860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.035860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.304541 (E_RNA)
where:
Base-Base interactions energy: -1682.590
where: short stacking energy: -718.627
Base-Backbone interact. energy: 4.740
local terms energy: -803.454636
where:
bonds (distance) C4'-P energy: -148.548
bonds (distance) P-C4' energy: -157.128
flat angles C4'-P-C4' energy: -171.658
flat angles P-C4'-P energy: -121.817
tors. eta vs tors. theta energy: -204.304
Dist. restrs. and SS energy: 2.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2404.105234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.105234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.428021 (E_RNA)
where:
Base-Base interactions energy: -1654.847
where: short stacking energy: -707.221
Base-Backbone interact. energy: 9.253
local terms energy: -760.834330
where:
bonds (distance) C4'-P energy: -138.252
bonds (distance) P-C4' energy: -151.405
flat angles C4'-P-C4' energy: -164.765
flat angles P-C4'-P energy: -108.222
tors. eta vs tors. theta energy: -198.191
Dist. restrs. and SS energy: 2.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2265.472713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.472713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.940210 (E_RNA)
where:
Base-Base interactions energy: -1577.514
where: short stacking energy: -670.250
Base-Backbone interact. energy: 2.445
local terms energy: -691.871462
where:
bonds (distance) C4'-P energy: -118.300
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -158.689
flat angles P-C4'-P energy: -98.228
tors. eta vs tors. theta energy: -188.244
Dist. restrs. and SS energy: 1.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2095.718274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.718274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.030556 (E_RNA)
where:
Base-Base interactions energy: -1415.616
where: short stacking energy: -596.530
Base-Backbone interact. energy: 6.226
local terms energy: -689.641292
where:
bonds (distance) C4'-P energy: -129.001
bonds (distance) P-C4' energy: -155.109
flat angles C4'-P-C4' energy: -159.767
flat angles P-C4'-P energy: -89.491
tors. eta vs tors. theta energy: -156.274
Dist. restrs. and SS energy: 3.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2005.668946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.668946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.040827 (E_RNA)
where:
Base-Base interactions energy: -1366.097
where: short stacking energy: -576.196
Base-Backbone interact. energy: -2.747
local terms energy: -638.197369
where:
bonds (distance) C4'-P energy: -137.774
bonds (distance) P-C4' energy: -121.039
flat angles C4'-P-C4' energy: -162.660
flat angles P-C4'-P energy: -80.101
tors. eta vs tors. theta energy: -136.623
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: 204
Temperature: 1.300000
Total energy: -1945.536281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.536281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.124158 (E_RNA)
where:
Base-Base interactions energy: -1350.079
where: short stacking energy: -565.356
Base-Backbone interact. energy: -3.362
local terms energy: -595.683017
where:
bonds (distance) C4'-P energy: -101.636
bonds (distance) P-C4' energy: -118.289
flat angles C4'-P-C4' energy: -146.719
flat angles P-C4'-P energy: -95.409
tors. eta vs tors. theta energy: -133.631
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1885.154534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.154534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.489090 (E_RNA)
where:
Base-Base interactions energy: -1282.825
where: short stacking energy: -501.946
Base-Backbone interact. energy: 2.884
local terms energy: -607.547828
where:
bonds (distance) C4'-P energy: -128.090
bonds (distance) P-C4' energy: -142.796
flat angles C4'-P-C4' energy: -141.898
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -121.169
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2896.598882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.598882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.780918 (E_RNA)
where:
Base-Base interactions energy: -2021.031
where: short stacking energy: -849.172
Base-Backbone interact. energy: -4.129
local terms energy: -872.620888
where:
bonds (distance) C4'-P energy: -154.481
bonds (distance) P-C4' energy: -151.777
flat angles C4'-P-C4' energy: -187.049
flat angles P-C4'-P energy: -130.171
tors. eta vs tors. theta energy: -249.142
Dist. restrs. and SS energy: 1.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2822.855641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.855641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.694709 (E_RNA)
where:
Base-Base interactions energy: -1974.706
where: short stacking energy: -797.527
Base-Backbone interact. energy: -3.233
local terms energy: -846.755284
where:
bonds (distance) C4'-P energy: -154.168
bonds (distance) P-C4' energy: -166.134
flat angles C4'-P-C4' energy: -174.903
flat angles P-C4'-P energy: -120.054
tors. eta vs tors. theta energy: -231.496
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: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2700.110178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.110178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.380731 (E_RNA)
where:
Base-Base interactions energy: -1877.013
where: short stacking energy: -773.628
Base-Backbone interact. energy: -1.243
local terms energy: -823.124341
where:
bonds (distance) C4'-P energy: -141.732
bonds (distance) P-C4' energy: -155.130
flat angles C4'-P-C4' energy: -172.767
flat angles P-C4'-P energy: -115.751
tors. eta vs tors. theta energy: -237.744
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2476.283742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.283742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.596929 (E_RNA)
where:
Base-Base interactions energy: -1683.914
where: short stacking energy: -721.015
Base-Backbone interact. energy: -1.840
local terms energy: -791.842925
where:
bonds (distance) C4'-P energy: -150.628
bonds (distance) P-C4' energy: -161.655
flat angles C4'-P-C4' energy: -167.564
flat angles P-C4'-P energy: -114.165
tors. eta vs tors. theta energy: -197.831
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2345.251055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.251055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.011617 (E_RNA)
where:
Base-Base interactions energy: -1593.364
where: short stacking energy: -690.619
Base-Backbone interact. energy: -3.241
local terms energy: -751.406367
where:
bonds (distance) C4'-P energy: -145.185
bonds (distance) P-C4' energy: -143.773
flat angles C4'-P-C4' energy: -167.604
flat angles P-C4'-P energy: -110.792
tors. eta vs tors. theta energy: -184.053
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: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2235.975779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.975779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.137419 (E_RNA)
where:
Base-Base interactions energy: -1492.438
where: short stacking energy: -627.533
Base-Backbone interact. energy: -1.283
local terms energy: -743.416006
where:
bonds (distance) C4'-P energy: -144.526
bonds (distance) P-C4' energy: -134.518
flat angles C4'-P-C4' energy: -174.169
flat angles P-C4'-P energy: -98.145
tors. eta vs tors. theta energy: -192.058
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2132.045499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.045499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.294445 (E_RNA)
where:
Base-Base interactions energy: -1398.958
where: short stacking energy: -614.809
Base-Backbone interact. energy: -1.746
local terms energy: -734.590795
where:
bonds (distance) C4'-P energy: -138.623
bonds (distance) P-C4' energy: -136.123
flat angles C4'-P-C4' energy: -168.312
flat angles P-C4'-P energy: -114.593
tors. eta vs tors. theta energy: -176.940
Dist. restrs. and SS energy: 3.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2021.893149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.893149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.530574 (E_RNA)
where:
Base-Base interactions energy: -1352.243
where: short stacking energy: -552.525
Base-Backbone interact. energy: -2.160
local terms energy: -670.127696
where:
bonds (distance) C4'-P energy: -138.894
bonds (distance) P-C4' energy: -137.049
flat angles C4'-P-C4' energy: -136.943
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -150.986
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1923.372661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.372661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.630592 (E_RNA)
where:
Base-Base interactions energy: -1304.299
where: short stacking energy: -564.267
Base-Backbone interact. energy: -3.542
local terms energy: -618.790015
where:
bonds (distance) C4'-P energy: -126.390
bonds (distance) P-C4' energy: -128.452
flat angles C4'-P-C4' energy: -135.728
flat angles P-C4'-P energy: -88.865
tors. eta vs tors. theta energy: -139.356
Dist. restrs. and SS energy: 3.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1887.579164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.579164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.488607 (E_RNA)
where:
Base-Base interactions energy: -1267.152
where: short stacking energy: -525.006
Base-Backbone interact. energy: -0.393
local terms energy: -625.943559
where:
bonds (distance) C4'-P energy: -123.341
bonds (distance) P-C4' energy: -137.597
flat angles C4'-P-C4' energy: -143.346
flat angles P-C4'-P energy: -89.243
tors. eta vs tors. theta energy: -132.415
Dist. restrs. and SS energy: 5.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2881.126476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.126476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.168300 (E_RNA)
where:
Base-Base interactions energy: -2022.537
where: short stacking energy: -837.221
Base-Backbone interact. energy: -0.977
local terms energy: -858.655058
where:
bonds (distance) C4'-P energy: -162.351
bonds (distance) P-C4' energy: -153.199
flat angles C4'-P-C4' energy: -180.884
flat angles P-C4'-P energy: -130.826
tors. eta vs tors. theta energy: -231.395
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: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2821.707453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.707453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.124141 (E_RNA)
where:
Base-Base interactions energy: -1948.627
where: short stacking energy: -806.294
Base-Backbone interact. energy: -1.657
local terms energy: -873.839743
where:
bonds (distance) C4'-P energy: -157.856
bonds (distance) P-C4' energy: -172.697
flat angles C4'-P-C4' energy: -173.196
flat angles P-C4'-P energy: -130.875
tors. eta vs tors. theta energy: -239.216
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: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2664.293896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.293896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.568816 (E_RNA)
where:
Base-Base interactions energy: -1861.638
where: short stacking energy: -786.849
Base-Backbone interact. energy: -0.504
local terms energy: -803.427148
where:
bonds (distance) C4'-P energy: -156.544
bonds (distance) P-C4' energy: -157.764
flat angles C4'-P-C4' energy: -164.295
flat angles P-C4'-P energy: -108.555
tors. eta vs tors. theta energy: -216.269
Dist. restrs. and SS energy: 1.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2494.688030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.688030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.699270 (E_RNA)
where:
Base-Base interactions energy: -1726.710
where: short stacking energy: -738.591
Base-Backbone interact. energy: 2.374
local terms energy: -772.362665
where:
bonds (distance) C4'-P energy: -151.847
bonds (distance) P-C4' energy: -154.993
flat angles C4'-P-C4' energy: -150.491
flat angles P-C4'-P energy: -96.577
tors. eta vs tors. theta energy: -218.454
Dist. restrs. and SS energy: 2.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2410.848832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.848832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.449809 (E_RNA)
where:
Base-Base interactions energy: -1651.795
where: short stacking energy: -729.645
Base-Backbone interact. energy: -0.009
local terms energy: -762.645853
where:
bonds (distance) C4'-P energy: -138.987
bonds (distance) P-C4' energy: -133.721
flat angles C4'-P-C4' energy: -172.665
flat angles P-C4'-P energy: -105.857
tors. eta vs tors. theta energy: -211.416
Dist. restrs. and SS energy: 3.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2265.577620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.577620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.617561 (E_RNA)
where:
Base-Base interactions energy: -1509.466
where: short stacking energy: -645.782
Base-Backbone interact. energy: -3.171
local terms energy: -755.980649
where:
bonds (distance) C4'-P energy: -129.914
bonds (distance) P-C4' energy: -134.817
flat angles C4'-P-C4' energy: -177.327
flat angles P-C4'-P energy: -120.562
tors. eta vs tors. theta energy: -193.360
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: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2100.417683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.417683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.705852 (E_RNA)
where:
Base-Base interactions energy: -1431.328
where: short stacking energy: -610.835
Base-Backbone interact. energy: -1.708
local terms energy: -668.670096
where:
bonds (distance) C4'-P energy: -133.630
bonds (distance) P-C4' energy: -122.362
flat angles C4'-P-C4' energy: -152.420
flat angles P-C4'-P energy: -102.232
tors. eta vs tors. theta energy: -158.026
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2022.001405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.001405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.365787 (E_RNA)
where:
Base-Base interactions energy: -1377.896
where: short stacking energy: -606.944
Base-Backbone interact. energy: -3.784
local terms energy: -643.685752
where:
bonds (distance) C4'-P energy: -128.501
bonds (distance) P-C4' energy: -137.047
flat angles C4'-P-C4' energy: -143.382
flat angles P-C4'-P energy: -84.524
tors. eta vs tors. theta energy: -150.232
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1912.914388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.914388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.886723 (E_RNA)
where:
Base-Base interactions energy: -1285.909
where: short stacking energy: -554.311
Base-Backbone interact. energy: 3.739
local terms energy: -636.716477
where:
bonds (distance) C4'-P energy: -122.264
bonds (distance) P-C4' energy: -152.955
flat angles C4'-P-C4' energy: -132.676
flat angles P-C4'-P energy: -91.738
tors. eta vs tors. theta energy: -137.084
Dist. restrs. and SS energy: 5.972 (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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1826.635423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.635423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.823844 (E_RNA)
where:
Base-Base interactions energy: -1268.494
where: short stacking energy: -528.984
Base-Backbone interact. energy: 0.947
local terms energy: -566.276194
where:
bonds (distance) C4'-P energy: -132.036
bonds (distance) P-C4' energy: -117.043
flat angles C4'-P-C4' energy: -109.315
flat angles P-C4'-P energy: -87.064
tors. eta vs tors. theta energy: -120.819
Dist. restrs. and SS energy: 7.188 (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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2889.267445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.267445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.490865 (E_RNA)
where:
Base-Base interactions energy: -2016.307
where: short stacking energy: -868.187
Base-Backbone interact. energy: -4.710
local terms energy: -869.474635
where:
bonds (distance) C4'-P energy: -163.996
bonds (distance) P-C4' energy: -135.351
flat angles C4'-P-C4' energy: -193.435
flat angles P-C4'-P energy: -129.912
tors. eta vs tors. theta energy: -246.782
Dist. restrs. and SS energy: 1.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2789.400869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.400869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.685155 (E_RNA)
where:
Base-Base interactions energy: -1934.022
where: short stacking energy: -814.843
Base-Backbone interact. energy: 0.521
local terms energy: -858.184145
where:
bonds (distance) C4'-P energy: -152.287
bonds (distance) P-C4' energy: -158.751
flat angles C4'-P-C4' energy: -176.917
flat angles P-C4'-P energy: -130.431
tors. eta vs tors. theta energy: -239.799
Dist. restrs. and SS energy: 2.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2666.238245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.238245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.326558 (E_RNA)
where:
Base-Base interactions energy: -1843.158
where: short stacking energy: -755.932
Base-Backbone interact. energy: -3.158
local terms energy: -822.010039
where:
bonds (distance) C4'-P energy: -152.497
bonds (distance) P-C4' energy: -158.130
flat angles C4'-P-C4' energy: -163.435
flat angles P-C4'-P energy: -121.749
tors. eta vs tors. theta energy: -226.199
Dist. restrs. and SS energy: 2.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2493.634517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.634517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.942919 (E_RNA)
where:
Base-Base interactions energy: -1690.891
where: short stacking energy: -729.380
Base-Backbone interact. energy: 2.069
local terms energy: -806.120984
where:
bonds (distance) C4'-P energy: -155.285
bonds (distance) P-C4' energy: -152.790
flat angles C4'-P-C4' energy: -171.872
flat angles P-C4'-P energy: -118.590
tors. eta vs tors. theta energy: -207.584
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2377.790114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.790114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.173111 (E_RNA)
where:
Base-Base interactions energy: -1622.116
where: short stacking energy: -703.818
Base-Backbone interact. energy: 6.545
local terms energy: -764.602403
where:
bonds (distance) C4'-P energy: -139.875
bonds (distance) P-C4' energy: -153.049
flat angles C4'-P-C4' energy: -181.303
flat angles P-C4'-P energy: -98.705
tors. eta vs tors. theta energy: -191.670
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: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2293.761476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.761476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.908916 (E_RNA)
where:
Base-Base interactions energy: -1552.059
where: short stacking energy: -661.715
Base-Backbone interact. energy: 0.979
local terms energy: -744.828536
where:
bonds (distance) C4'-P energy: -152.988
bonds (distance) P-C4' energy: -154.372
flat angles C4'-P-C4' energy: -172.825
flat angles P-C4'-P energy: -83.825
tors. eta vs tors. theta energy: -180.819
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2106.755745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.755745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.629807 (E_RNA)
where:
Base-Base interactions energy: -1444.091
where: short stacking energy: -624.998
Base-Backbone interact. energy: -3.248
local terms energy: -661.291266
where:
bonds (distance) C4'-P energy: -130.497
bonds (distance) P-C4' energy: -136.946
flat angles C4'-P-C4' energy: -148.697
flat angles P-C4'-P energy: -72.455
tors. eta vs tors. theta energy: -172.696
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: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2069.290272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.290272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.994636 (E_RNA)
where:
Base-Base interactions energy: -1415.645
where: short stacking energy: -616.369
Base-Backbone interact. energy: 0.247
local terms energy: -655.596296
where:
bonds (distance) C4'-P energy: -120.456
bonds (distance) P-C4' energy: -143.245
flat angles C4'-P-C4' energy: -151.833
flat angles P-C4'-P energy: -81.632
tors. eta vs tors. theta energy: -158.431
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1942.592636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.592636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.779610 (E_RNA)
where:
Base-Base interactions energy: -1299.682
where: short stacking energy: -559.448
Base-Backbone interact. energy: 0.989
local terms energy: -649.086440
where:
bonds (distance) C4'-P energy: -128.445
bonds (distance) P-C4' energy: -124.472
flat angles C4'-P-C4' energy: -137.426
flat angles P-C4'-P energy: -111.783
tors. eta vs tors. theta energy: -146.960
Dist. restrs. and SS energy: 5.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1859.241448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.241448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.287756 (E_RNA)
where:
Base-Base interactions energy: -1269.470
where: short stacking energy: -539.875
Base-Backbone interact. energy: 0.648
local terms energy: -597.466637
where:
bonds (distance) C4'-P energy: -108.070
bonds (distance) P-C4' energy: -107.910
flat angles C4'-P-C4' energy: -149.005
flat angles P-C4'-P energy: -89.320
tors. eta vs tors. theta energy: -143.162
Dist. restrs. and SS energy: 7.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2882.005587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.005587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.726224 (E_RNA)
where:
Base-Base interactions energy: -1996.639
where: short stacking energy: -836.299
Base-Backbone interact. energy: 1.775
local terms energy: -888.861550
where:
bonds (distance) C4'-P energy: -168.015
bonds (distance) P-C4' energy: -166.601
flat angles C4'-P-C4' energy: -180.723
flat angles P-C4'-P energy: -135.584
tors. eta vs tors. theta energy: -237.939
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2778.034934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.034934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.657041 (E_RNA)
where:
Base-Base interactions energy: -1904.583
where: short stacking energy: -799.920
Base-Backbone interact. energy: -2.485
local terms energy: -872.589581
where:
bonds (distance) C4'-P energy: -165.103
bonds (distance) P-C4' energy: -155.575
flat angles C4'-P-C4' energy: -176.788
flat angles P-C4'-P energy: -132.299
tors. eta vs tors. theta energy: -242.825
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2708.295366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.295366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.737071 (E_RNA)
where:
Base-Base interactions energy: -1848.894
where: short stacking energy: -771.348
Base-Backbone interact. energy: -1.202
local terms energy: -859.641214
where:
bonds (distance) C4'-P energy: -155.123
bonds (distance) P-C4' energy: -155.593
flat angles C4'-P-C4' energy: -188.296
flat angles P-C4'-P energy: -120.722
tors. eta vs tors. theta energy: -239.907
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: 208
Temperature: 1.050000
Total energy: -2502.069644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.069644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.009292 (E_RNA)
where:
Base-Base interactions energy: -1722.530
where: short stacking energy: -704.171
Base-Backbone interact. energy: 2.510
local terms energy: -783.989298
where:
bonds (distance) C4'-P energy: -144.923
bonds (distance) P-C4' energy: -167.048
flat angles C4'-P-C4' energy: -163.695
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -204.527
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2402.872227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.872227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.751595 (E_RNA)
where:
Base-Base interactions energy: -1650.166
where: short stacking energy: -690.617
Base-Backbone interact. energy: -0.013
local terms energy: -755.572635
where:
bonds (distance) C4'-P energy: -134.589
bonds (distance) P-C4' energy: -146.504
flat angles C4'-P-C4' energy: -169.413
flat angles P-C4'-P energy: -113.339
tors. eta vs tors. theta energy: -191.728
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: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2240.966924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.966924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.922287 (E_RNA)
where:
Base-Base interactions energy: -1520.278
where: short stacking energy: -660.882
Base-Backbone interact. energy: -1.612
local terms energy: -721.032009
where:
bonds (distance) C4'-P energy: -138.287
bonds (distance) P-C4' energy: -128.936
flat angles C4'-P-C4' energy: -167.440
flat angles P-C4'-P energy: -109.703
tors. eta vs tors. theta energy: -176.667
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: 208
Temperature: 1.200000
Total energy: -2122.614921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.614921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.537779 (E_RNA)
where:
Base-Base interactions energy: -1395.328
where: short stacking energy: -594.374
Base-Backbone interact. energy: 5.104
local terms energy: -734.313801
where:
bonds (distance) C4'-P energy: -147.176
bonds (distance) P-C4' energy: -150.124
flat angles C4'-P-C4' energy: -161.780
flat angles P-C4'-P energy: -104.541
tors. eta vs tors. theta energy: -170.693
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1955.974485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.974485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.419677 (E_RNA)
where:
Base-Base interactions energy: -1324.555
where: short stacking energy: -552.455
Base-Backbone interact. energy: 2.828
local terms energy: -638.692500
where:
bonds (distance) C4'-P energy: -148.915
bonds (distance) P-C4' energy: -134.443
flat angles C4'-P-C4' energy: -122.447
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -141.544
Dist. restrs. and SS energy: 4.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1928.985516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.985516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.294405 (E_RNA)
where:
Base-Base interactions energy: -1316.408
where: short stacking energy: -554.551
Base-Backbone interact. energy: 2.592
local terms energy: -623.478305
where:
bonds (distance) C4'-P energy: -125.095
bonds (distance) P-C4' energy: -136.165
flat angles C4'-P-C4' energy: -134.295
flat angles P-C4'-P energy: -88.705
tors. eta vs tors. theta energy: -139.218
Dist. restrs. and SS energy: 8.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1849.458350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.458350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.997158 (E_RNA)
where:
Base-Base interactions energy: -1280.193
where: short stacking energy: -530.834
Base-Backbone interact. energy: -3.436
local terms energy: -568.367786
where:
bonds (distance) C4'-P energy: -120.110
bonds (distance) P-C4' energy: -111.295
flat angles C4'-P-C4' energy: -139.237
flat angles P-C4'-P energy: -62.627
tors. eta vs tors. theta energy: -135.100
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: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2905.823014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.823014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.294376 (E_RNA)
where:
Base-Base interactions energy: -2042.092
where: short stacking energy: -823.403
Base-Backbone interact. energy: -0.995
local terms energy: -864.206922
where:
bonds (distance) C4'-P energy: -168.815
bonds (distance) P-C4' energy: -163.523
flat angles C4'-P-C4' energy: -176.946
flat angles P-C4'-P energy: -119.041
tors. eta vs tors. theta energy: -235.882
Dist. restrs. and SS energy: 1.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2752.659447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.659447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.037606 (E_RNA)
where:
Base-Base interactions energy: -1918.526
where: short stacking energy: -794.541
Base-Backbone interact. energy: -5.881
local terms energy: -829.630725
where:
bonds (distance) C4'-P energy: -153.875
bonds (distance) P-C4' energy: -149.847
flat angles C4'-P-C4' energy: -172.412
flat angles P-C4'-P energy: -125.756
tors. eta vs tors. theta energy: -227.741
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2650.400166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.400166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.001156 (E_RNA)
where:
Base-Base interactions energy: -1846.117
where: short stacking energy: -786.766
Base-Backbone interact. energy: -3.766
local terms energy: -803.117611
where:
bonds (distance) C4'-P energy: -140.869
bonds (distance) P-C4' energy: -148.932
flat angles C4'-P-C4' energy: -174.949
flat angles P-C4'-P energy: -113.658
tors. eta vs tors. theta energy: -224.709
Dist. restrs. and SS energy: 2.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2533.411137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.411137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.113144 (E_RNA)
where:
Base-Base interactions energy: -1727.107
where: short stacking energy: -738.008
Base-Backbone interact. energy: -1.990
local terms energy: -806.016198
where:
bonds (distance) C4'-P energy: -135.543
bonds (distance) P-C4' energy: -151.360
flat angles C4'-P-C4' energy: -174.074
flat angles P-C4'-P energy: -123.462
tors. eta vs tors. theta energy: -221.576
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: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2402.920237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.920237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.950266 (E_RNA)
where:
Base-Base interactions energy: -1644.712
where: short stacking energy: -697.074
Base-Backbone interact. energy: -1.167
local terms energy: -759.070936
where:
bonds (distance) C4'-P energy: -134.382
bonds (distance) P-C4' energy: -153.993
flat angles C4'-P-C4' energy: -164.056
flat angles P-C4'-P energy: -110.068
tors. eta vs tors. theta energy: -196.572
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2298.864404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.864404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.985171 (E_RNA)
where:
Base-Base interactions energy: -1550.599
where: short stacking energy: -661.477
Base-Backbone interact. energy: -0.962
local terms energy: -749.424221
where:
bonds (distance) C4'-P energy: -144.848
bonds (distance) P-C4' energy: -152.310
flat angles C4'-P-C4' energy: -163.120
flat angles P-C4'-P energy: -100.539
tors. eta vs tors. theta energy: -188.607
Dist. restrs. and SS energy: 2.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2117.371618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.371618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.653476 (E_RNA)
where:
Base-Base interactions energy: -1454.943
where: short stacking energy: -634.949
Base-Backbone interact. energy: 0.778
local terms energy: -665.489002
where:
bonds (distance) C4'-P energy: -119.602
bonds (distance) P-C4' energy: -136.693
flat angles C4'-P-C4' energy: -158.826
flat angles P-C4'-P energy: -72.930
tors. eta vs tors. theta energy: -177.439
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: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1992.337807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.729243 (E_RNA)
where:
Base-Base interactions energy: -1330.505
where: short stacking energy: -534.794
Base-Backbone interact. energy: -2.223
local terms energy: -663.001262
where:
bonds (distance) C4'-P energy: -135.394
bonds (distance) P-C4' energy: -151.202
flat angles C4'-P-C4' energy: -139.410
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -148.059
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: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1910.954824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.954824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.971616 (E_RNA)
where:
Base-Base interactions energy: -1301.820
where: short stacking energy: -532.777
Base-Backbone interact. energy: -3.713
local terms energy: -608.439281
where:
bonds (distance) C4'-P energy: -136.561
bonds (distance) P-C4' energy: -116.617
flat angles C4'-P-C4' energy: -152.815
flat angles P-C4'-P energy: -72.033
tors. eta vs tors. theta energy: -130.413
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: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1875.158575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.158575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.421178 (E_RNA)
where:
Base-Base interactions energy: -1280.739
where: short stacking energy: -550.871
Base-Backbone interact. energy: -1.396
local terms energy: -596.286070
where:
bonds (distance) C4'-P energy: -126.785
bonds (distance) P-C4' energy: -107.145
flat angles C4'-P-C4' energy: -137.310
flat angles P-C4'-P energy: -90.424
tors. eta vs tors. theta energy: -134.621
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2942.613741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.613741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.683124 (E_RNA)
where:
Base-Base interactions energy: -2065.286
where: short stacking energy: -831.754
Base-Backbone interact. energy: -4.590
local terms energy: -873.807121
where:
bonds (distance) C4'-P energy: -152.758
bonds (distance) P-C4' energy: -164.970
flat angles C4'-P-C4' energy: -190.496
flat angles P-C4'-P energy: -125.914
tors. eta vs tors. theta energy: -239.669
Dist. restrs. and SS energy: 1.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2770.163265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.163265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.419826 (E_RNA)
where:
Base-Base interactions energy: -1907.173
where: short stacking energy: -775.250
Base-Backbone interact. energy: -1.232
local terms energy: -863.014943
where:
bonds (distance) C4'-P energy: -154.845
bonds (distance) P-C4' energy: -154.406
flat angles C4'-P-C4' energy: -190.055
flat angles P-C4'-P energy: -120.277
tors. eta vs tors. theta energy: -243.431
Dist. restrs. and SS energy: 1.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2609.735577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.735577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.032357 (E_RNA)
where:
Base-Base interactions energy: -1809.378
where: short stacking energy: -764.999
Base-Backbone interact. energy: -1.968
local terms energy: -799.685829
where:
bonds (distance) C4'-P energy: -147.402
bonds (distance) P-C4' energy: -143.192
flat angles C4'-P-C4' energy: -175.868
flat angles P-C4'-P energy: -105.382
tors. eta vs tors. theta energy: -227.843
Dist. restrs. and SS energy: 1.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2516.696021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.696021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.894349 (E_RNA)
where:
Base-Base interactions energy: -1700.466
where: short stacking energy: -736.502
Base-Backbone interact. energy: -2.100
local terms energy: -816.328009
where:
bonds (distance) C4'-P energy: -137.721
bonds (distance) P-C4' energy: -160.561
flat angles C4'-P-C4' energy: -177.869
flat angles P-C4'-P energy: -120.557
tors. eta vs tors. theta energy: -219.620
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2407.660374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.660374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.337369 (E_RNA)
where:
Base-Base interactions energy: -1631.625
where: short stacking energy: -681.181
Base-Backbone interact. energy: -3.036
local terms energy: -774.676097
where:
bonds (distance) C4'-P energy: -143.577
bonds (distance) P-C4' energy: -152.419
flat angles C4'-P-C4' energy: -178.486
flat angles P-C4'-P energy: -102.748
tors. eta vs tors. theta energy: -197.446
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: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2295.537376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.537376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.535273 (E_RNA)
where:
Base-Base interactions energy: -1600.578
where: short stacking energy: -675.929
Base-Backbone interact. energy: 3.681
local terms energy: -700.638319
where:
bonds (distance) C4'-P energy: -147.789
bonds (distance) P-C4' energy: -121.897
flat angles C4'-P-C4' energy: -155.093
flat angles P-C4'-P energy: -94.587
tors. eta vs tors. theta energy: -181.272
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: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2073.793662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.793662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.349137 (E_RNA)
where:
Base-Base interactions energy: -1406.007
where: short stacking energy: -602.468
Base-Backbone interact. energy: 8.766
local terms energy: -679.108223
where:
bonds (distance) C4'-P energy: -115.810
bonds (distance) P-C4' energy: -151.540
flat angles C4'-P-C4' energy: -156.857
flat angles P-C4'-P energy: -103.571
tors. eta vs tors. theta energy: -151.329
Dist. restrs. and SS energy: 2.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2066.253050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.253050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.548715 (E_RNA)
where:
Base-Base interactions energy: -1409.780
where: short stacking energy: -651.554
Base-Backbone interact. energy: -1.861
local terms energy: -656.907973
where:
bonds (distance) C4'-P energy: -111.767
bonds (distance) P-C4' energy: -133.944
flat angles C4'-P-C4' energy: -143.098
flat angles P-C4'-P energy: -103.186
tors. eta vs tors. theta energy: -164.913
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1933.846318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.846318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.125488 (E_RNA)
where:
Base-Base interactions energy: -1301.137
where: short stacking energy: -530.282
Base-Backbone interact. energy: -3.630
local terms energy: -631.358153
where:
bonds (distance) C4'-P energy: -133.935
bonds (distance) P-C4' energy: -129.463
flat angles C4'-P-C4' energy: -139.703
flat angles P-C4'-P energy: -89.143
tors. eta vs tors. theta energy: -139.115
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: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1849.715432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.715432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.339983 (E_RNA)
where:
Base-Base interactions energy: -1242.155
where: short stacking energy: -507.848
Base-Backbone interact. energy: 4.323
local terms energy: -615.508313
where:
bonds (distance) C4'-P energy: -147.063
bonds (distance) P-C4' energy: -113.761
flat angles C4'-P-C4' energy: -143.896
flat angles P-C4'-P energy: -90.132
tors. eta vs tors. theta energy: -120.656
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: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2893.994502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.994502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.763495 (E_RNA)
where:
Base-Base interactions energy: -1998.578
where: short stacking energy: -859.184
Base-Backbone interact. energy: 5.400
local terms energy: -902.585908
where:
bonds (distance) C4'-P energy: -166.410
bonds (distance) P-C4' energy: -165.615
flat angles C4'-P-C4' energy: -191.985
flat angles P-C4'-P energy: -120.125
tors. eta vs tors. theta energy: -258.452
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2735.610780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.610780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.707337 (E_RNA)
where:
Base-Base interactions energy: -1891.022
where: short stacking energy: -755.039
Base-Backbone interact. energy: -2.162
local terms energy: -843.523565
where:
bonds (distance) C4'-P energy: -147.088
bonds (distance) P-C4' energy: -154.236
flat angles C4'-P-C4' energy: -187.279
flat angles P-C4'-P energy: -132.818
tors. eta vs tors. theta energy: -222.104
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: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2630.406578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.406578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.314732 (E_RNA)
where:
Base-Base interactions energy: -1815.824
where: short stacking energy: -750.024
Base-Backbone interact. energy: -3.216
local terms energy: -812.274148
where:
bonds (distance) C4'-P energy: -166.738
bonds (distance) P-C4' energy: -155.080
flat angles C4'-P-C4' energy: -177.843
flat angles P-C4'-P energy: -97.874
tors. eta vs tors. theta energy: -214.739
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: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2581.642718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.642718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.100072 (E_RNA)
where:
Base-Base interactions energy: -1755.454
where: short stacking energy: -765.226
Base-Backbone interact. energy: -3.087
local terms energy: -825.558732
where:
bonds (distance) C4'-P energy: -150.413
bonds (distance) P-C4' energy: -158.299
flat angles C4'-P-C4' energy: -164.674
flat angles P-C4'-P energy: -121.140
tors. eta vs tors. theta energy: -231.034
Dist. restrs. and SS energy: 2.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2342.748563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.748563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.915475 (E_RNA)
where:
Base-Base interactions energy: -1618.309
where: short stacking energy: -699.938
Base-Backbone interact. energy: -0.101
local terms energy: -726.504863
where:
bonds (distance) C4'-P energy: -147.010
bonds (distance) P-C4' energy: -131.924
flat angles C4'-P-C4' energy: -159.683
flat angles P-C4'-P energy: -98.036
tors. eta vs tors. theta energy: -189.853
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2264.995142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.995142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.298356 (E_RNA)
where:
Base-Base interactions energy: -1529.529
where: short stacking energy: -626.091
Base-Backbone interact. energy: 4.367
local terms energy: -742.136046
where:
bonds (distance) C4'-P energy: -136.890
bonds (distance) P-C4' energy: -147.617
flat angles C4'-P-C4' energy: -165.093
flat angles P-C4'-P energy: -109.140
tors. eta vs tors. theta energy: -183.396
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2072.329875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.329875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.653272 (E_RNA)
where:
Base-Base interactions energy: -1378.106
where: short stacking energy: -594.295
Base-Backbone interact. energy: 6.933
local terms energy: -704.480746
where:
bonds (distance) C4'-P energy: -136.187
bonds (distance) P-C4' energy: -138.824
flat angles C4'-P-C4' energy: -162.033
flat angles P-C4'-P energy: -100.859
tors. eta vs tors. theta energy: -166.577
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -2015.664022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.664022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.191306 (E_RNA)
where:
Base-Base interactions energy: -1389.911
where: short stacking energy: -583.632
Base-Backbone interact. energy: -3.937
local terms energy: -627.342676
where:
bonds (distance) C4'-P energy: -152.130
bonds (distance) P-C4' energy: -110.325
flat angles C4'-P-C4' energy: -134.928
flat angles P-C4'-P energy: -93.552
tors. eta vs tors. theta energy: -136.407
Dist. restrs. and SS energy: 5.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1945.906245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.906245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.213611 (E_RNA)
where:
Base-Base interactions energy: -1319.826
where: short stacking energy: -546.811
Base-Backbone interact. energy: -4.230
local terms energy: -626.158151
where:
bonds (distance) C4'-P energy: -137.117
bonds (distance) P-C4' energy: -126.223
flat angles C4'-P-C4' energy: -140.565
flat angles P-C4'-P energy: -78.205
tors. eta vs tors. theta energy: -144.049
Dist. restrs. and SS energy: 4.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1897.520445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.520445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.416788 (E_RNA)
where:
Base-Base interactions energy: -1296.650
where: short stacking energy: -550.701
Base-Backbone interact. energy: 0.409
local terms energy: -605.174996
where:
bonds (distance) C4'-P energy: -125.650
bonds (distance) P-C4' energy: -124.057
flat angles C4'-P-C4' energy: -123.889
flat angles P-C4'-P energy: -77.510
tors. eta vs tors. theta energy: -154.069
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: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2881.988698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.988698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.138470 (E_RNA)
where:
Base-Base interactions energy: -1993.844
where: short stacking energy: -836.266
Base-Backbone interact. energy: -2.956
local terms energy: -887.338440
where:
bonds (distance) C4'-P energy: -164.062
bonds (distance) P-C4' energy: -171.937
flat angles C4'-P-C4' energy: -183.300
flat angles P-C4'-P energy: -133.959
tors. eta vs tors. theta energy: -234.080
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2760.681000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.681000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.527151 (E_RNA)
where:
Base-Base interactions energy: -1926.496
where: short stacking energy: -797.751
Base-Backbone interact. energy: -2.980
local terms energy: -833.051719
where:
bonds (distance) C4'-P energy: -168.483
bonds (distance) P-C4' energy: -156.783
flat angles C4'-P-C4' energy: -180.504
flat angles P-C4'-P energy: -104.401
tors. eta vs tors. theta energy: -222.881
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2644.496863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.496863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.071756 (E_RNA)
where:
Base-Base interactions energy: -1799.854
where: short stacking energy: -776.602
Base-Backbone interact. energy: -2.669
local terms energy: -844.548560
where:
bonds (distance) C4'-P energy: -158.808
bonds (distance) P-C4' energy: -166.267
flat angles C4'-P-C4' energy: -174.596
flat angles P-C4'-P energy: -116.120
tors. eta vs tors. theta energy: -228.758
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: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2504.121697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.121697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.121459 (E_RNA)
where:
Base-Base interactions energy: -1717.291
where: short stacking energy: -743.753
Base-Backbone interact. energy: -1.554
local terms energy: -788.276928
where:
bonds (distance) C4'-P energy: -130.819
bonds (distance) P-C4' energy: -153.910
flat angles C4'-P-C4' energy: -167.246
flat angles P-C4'-P energy: -117.752
tors. eta vs tors. theta energy: -218.550
Dist. restrs. and SS energy: 3.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2441.013260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.013260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.004332 (E_RNA)
where:
Base-Base interactions energy: -1661.772
where: short stacking energy: -740.112
Base-Backbone interact. energy: -1.682
local terms energy: -779.550256
where:
bonds (distance) C4'-P energy: -145.495
bonds (distance) P-C4' energy: -151.475
flat angles C4'-P-C4' energy: -165.914
flat angles P-C4'-P energy: -108.563
tors. eta vs tors. theta energy: -208.103
Dist. restrs. and SS energy: 1.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2290.106981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.106981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.909751 (E_RNA)
where:
Base-Base interactions energy: -1578.567
where: short stacking energy: -674.048
Base-Backbone interact. energy: -1.124
local terms energy: -712.218977
where:
bonds (distance) C4'-P energy: -147.970
bonds (distance) P-C4' energy: -142.429
flat angles C4'-P-C4' energy: -147.162
flat angles P-C4'-P energy: -102.346
tors. eta vs tors. theta energy: -172.312
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: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2083.027015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.027015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.706204 (E_RNA)
where:
Base-Base interactions energy: -1400.815
where: short stacking energy: -595.811
Base-Backbone interact. energy: -1.986
local terms energy: -683.905057
where:
bonds (distance) C4'-P energy: -120.193
bonds (distance) P-C4' energy: -170.902
flat angles C4'-P-C4' energy: -135.839
flat angles P-C4'-P energy: -99.757
tors. eta vs tors. theta energy: -157.215
Dist. restrs. and SS energy: 3.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2003.400884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.400884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.748181 (E_RNA)
where:
Base-Base interactions energy: -1367.685
where: short stacking energy: -569.685
Base-Backbone interact. energy: -2.914
local terms energy: -635.148407
where:
bonds (distance) C4'-P energy: -131.379
bonds (distance) P-C4' energy: -127.650
flat angles C4'-P-C4' energy: -137.227
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -147.209
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: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1910.397186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.397186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.279787 (E_RNA)
where:
Base-Base interactions energy: -1279.746
where: short stacking energy: -523.031
Base-Backbone interact. energy: -2.636
local terms energy: -632.897835
where:
bonds (distance) C4'-P energy: -104.692
bonds (distance) P-C4' energy: -133.608
flat angles C4'-P-C4' energy: -160.498
flat angles P-C4'-P energy: -94.597
tors. eta vs tors. theta energy: -139.503
Dist. restrs. and SS energy: 4.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1902.449964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.449964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.996227 (E_RNA)
where:
Base-Base interactions energy: -1291.653
where: short stacking energy: -554.271
Base-Backbone interact. energy: -1.244
local terms energy: -617.099130
where:
bonds (distance) C4'-P energy: -112.002
bonds (distance) P-C4' energy: -131.889
flat angles C4'-P-C4' energy: -147.429
flat angles P-C4'-P energy: -82.729
tors. eta vs tors. theta energy: -143.050
Dist. restrs. and SS energy: 7.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2880.170161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.170161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.482562 (E_RNA)
where:
Base-Base interactions energy: -2003.822
where: short stacking energy: -813.601
Base-Backbone interact. energy: -1.765
local terms energy: -876.894845
where:
bonds (distance) C4'-P energy: -175.593
bonds (distance) P-C4' energy: -138.906
flat angles C4'-P-C4' energy: -184.556
flat angles P-C4'-P energy: -136.404
tors. eta vs tors. theta energy: -241.435
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: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2789.560957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.560957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.749143 (E_RNA)
where:
Base-Base interactions energy: -1914.355
where: short stacking energy: -804.462
Base-Backbone interact. energy: -2.375
local terms energy: -876.018803
where:
bonds (distance) C4'-P energy: -168.545
bonds (distance) P-C4' energy: -168.264
flat angles C4'-P-C4' energy: -180.031
flat angles P-C4'-P energy: -119.778
tors. eta vs tors. theta energy: -239.400
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: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2636.605127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.605127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.479360 (E_RNA)
where:
Base-Base interactions energy: -1830.803
where: short stacking energy: -762.666
Base-Backbone interact. energy: 2.325
local terms energy: -809.001151
where:
bonds (distance) C4'-P energy: -140.093
bonds (distance) P-C4' energy: -155.665
flat angles C4'-P-C4' energy: -180.124
flat angles P-C4'-P energy: -112.693
tors. eta vs tors. theta energy: -220.427
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2546.366092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.366092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.073785 (E_RNA)
where:
Base-Base interactions energy: -1753.201
where: short stacking energy: -746.564
Base-Backbone interact. energy: 2.791
local terms energy: -797.664054
where:
bonds (distance) C4'-P energy: -133.557
bonds (distance) P-C4' energy: -157.572
flat angles C4'-P-C4' energy: -167.655
flat angles P-C4'-P energy: -115.146
tors. eta vs tors. theta energy: -223.735
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: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2393.770894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.770894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.017280 (E_RNA)
where:
Base-Base interactions energy: -1644.923
where: short stacking energy: -692.827
Base-Backbone interact. energy: 2.837
local terms energy: -753.931242
where:
bonds (distance) C4'-P energy: -147.627
bonds (distance) P-C4' energy: -142.306
flat angles C4'-P-C4' energy: -147.244
flat angles P-C4'-P energy: -110.648
tors. eta vs tors. theta energy: -206.106
Dist. restrs. and SS energy: 2.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2288.659544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.659544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.232255 (E_RNA)
where:
Base-Base interactions energy: -1548.624
where: short stacking energy: -658.298
Base-Backbone interact. energy: -3.871
local terms energy: -737.737241
where:
bonds (distance) C4'-P energy: -134.039
bonds (distance) P-C4' energy: -149.609
flat angles C4'-P-C4' energy: -169.110
flat angles P-C4'-P energy: -107.916
tors. eta vs tors. theta energy: -177.064
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: 213
Temperature: 1.200000
Total energy: -2101.504915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.504915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.120132 (E_RNA)
where:
Base-Base interactions energy: -1423.966
where: short stacking energy: -636.103
Base-Backbone interact. energy: 5.786
local terms energy: -684.940205
where:
bonds (distance) C4'-P energy: -139.452
bonds (distance) P-C4' energy: -138.942
flat angles C4'-P-C4' energy: -146.345
flat angles P-C4'-P energy: -93.397
tors. eta vs tors. theta energy: -166.804
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: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1989.972124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.972124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.506430 (E_RNA)
where:
Base-Base interactions energy: -1334.196
where: short stacking energy: -568.827
Base-Backbone interact. energy: -1.237
local terms energy: -658.073078
where:
bonds (distance) C4'-P energy: -110.029
bonds (distance) P-C4' energy: -144.309
flat angles C4'-P-C4' energy: -147.942
flat angles P-C4'-P energy: -104.148
tors. eta vs tors. theta energy: -151.645
Dist. restrs. and SS energy: 3.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1893.679917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.679917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.250667 (E_RNA)
where:
Base-Base interactions energy: -1297.214
where: short stacking energy: -532.481
Base-Backbone interact. energy: -1.719
local terms energy: -599.317288
where:
bonds (distance) C4'-P energy: -122.665
bonds (distance) P-C4' energy: -127.928
flat angles C4'-P-C4' energy: -140.330
flat angles P-C4'-P energy: -73.646
tors. eta vs tors. theta energy: -134.749
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: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1868.680913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.680913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.745474 (E_RNA)
where:
Base-Base interactions energy: -1252.669
where: short stacking energy: -502.387
Base-Backbone interact. energy: -3.802
local terms energy: -617.275033
where:
bonds (distance) C4'-P energy: -133.671
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -149.725
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -122.896
Dist. restrs. and SS energy: 5.065 (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: 214
Temperature: 0.900000
Total energy: -2887.049814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.049814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.342000 (E_RNA)
where:
Base-Base interactions energy: -2001.787
where: short stacking energy: -810.297
Base-Backbone interact. energy: 0.661
local terms energy: -889.216411
where:
bonds (distance) C4'-P energy: -171.949
bonds (distance) P-C4' energy: -165.393
flat angles C4'-P-C4' energy: -196.936
flat angles P-C4'-P energy: -120.962
tors. eta vs tors. theta energy: -233.978
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: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2748.396561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.396561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.443825 (E_RNA)
where:
Base-Base interactions energy: -1908.919
where: short stacking energy: -785.434
Base-Backbone interact. energy: 1.334
local terms energy: -843.858703
where:
bonds (distance) C4'-P energy: -161.945
bonds (distance) P-C4' energy: -167.806
flat angles C4'-P-C4' energy: -161.473
flat angles P-C4'-P energy: -127.621
tors. eta vs tors. theta energy: -225.015
Dist. restrs. and SS energy: 3.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2635.101464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.101464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.384441 (E_RNA)
where:
Base-Base interactions energy: -1811.928
where: short stacking energy: -761.507
Base-Backbone interact. energy: 2.385
local terms energy: -826.841482
where:
bonds (distance) C4'-P energy: -147.113
bonds (distance) P-C4' energy: -166.397
flat angles C4'-P-C4' energy: -183.464
flat angles P-C4'-P energy: -109.181
tors. eta vs tors. theta energy: -220.686
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2523.616651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.616651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.661485 (E_RNA)
where:
Base-Base interactions energy: -1716.327
where: short stacking energy: -750.691
Base-Backbone interact. energy: -1.777
local terms energy: -807.557197
where:
bonds (distance) C4'-P energy: -139.565
bonds (distance) P-C4' energy: -161.202
flat angles C4'-P-C4' energy: -174.083
flat angles P-C4'-P energy: -113.258
tors. eta vs tors. theta energy: -219.449
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: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2413.522704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.522704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.081062 (E_RNA)
where:
Base-Base interactions energy: -1641.496
where: short stacking energy: -704.528
Base-Backbone interact. energy: -1.795
local terms energy: -771.789981
where:
bonds (distance) C4'-P energy: -143.279
bonds (distance) P-C4' energy: -142.030
flat angles C4'-P-C4' energy: -170.543
flat angles P-C4'-P energy: -113.417
tors. eta vs tors. theta energy: -202.521
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: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2305.919181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.919181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.885670 (E_RNA)
where:
Base-Base interactions energy: -1565.976
where: short stacking energy: -687.215
Base-Backbone interact. energy: 2.145
local terms energy: -744.053848
where:
bonds (distance) C4'-P energy: -135.630
bonds (distance) P-C4' energy: -139.448
flat angles C4'-P-C4' energy: -161.766
flat angles P-C4'-P energy: -102.475
tors. eta vs tors. theta energy: -204.736
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: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2095.446793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.446793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.200972 (E_RNA)
where:
Base-Base interactions energy: -1404.798
where: short stacking energy: -610.603
Base-Backbone interact. energy: 3.094
local terms energy: -695.496478
where:
bonds (distance) C4'-P energy: -133.597
bonds (distance) P-C4' energy: -130.016
flat angles C4'-P-C4' energy: -148.995
flat angles P-C4'-P energy: -118.175
tors. eta vs tors. theta energy: -164.713
Dist. restrs. and SS energy: 1.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2066.809656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.809656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.904446 (E_RNA)
where:
Base-Base interactions energy: -1385.227
where: short stacking energy: -607.022
Base-Backbone interact. energy: 5.477
local terms energy: -690.154530
where:
bonds (distance) C4'-P energy: -129.185
bonds (distance) P-C4' energy: -144.871
flat angles C4'-P-C4' energy: -158.836
flat angles P-C4'-P energy: -86.179
tors. eta vs tors. theta energy: -171.083
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -2005.717461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.717461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.443834 (E_RNA)
where:
Base-Base interactions energy: -1367.608
where: short stacking energy: -603.378
Base-Backbone interact. energy: -3.141
local terms energy: -637.694446
where:
bonds (distance) C4'-P energy: -133.162
bonds (distance) P-C4' energy: -116.028
flat angles C4'-P-C4' energy: -152.256
flat angles P-C4'-P energy: -78.399
tors. eta vs tors. theta energy: -157.850
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: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1782.911524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.911524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.632311 (E_RNA)
where:
Base-Base interactions energy: -1219.930
where: short stacking energy: -511.332
Base-Backbone interact. energy: -2.137
local terms energy: -572.565789
where:
bonds (distance) C4'-P energy: -134.208
bonds (distance) P-C4' energy: -100.929
flat angles C4'-P-C4' energy: -146.589
flat angles P-C4'-P energy: -75.442
tors. eta vs tors. theta energy: -115.398
Dist. restrs. and SS energy: 11.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2891.997312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.997312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.117683 (E_RNA)
where:
Base-Base interactions energy: -2018.023
where: short stacking energy: -828.331
Base-Backbone interact. energy: -4.501
local terms energy: -871.594247
where:
bonds (distance) C4'-P energy: -158.766
bonds (distance) P-C4' energy: -166.423
flat angles C4'-P-C4' energy: -178.482
flat angles P-C4'-P energy: -134.979
tors. eta vs tors. theta energy: -232.945
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: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2780.289340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.289340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.072878 (E_RNA)
where:
Base-Base interactions energy: -1946.292
where: short stacking energy: -797.703
Base-Backbone interact. energy: -3.404
local terms energy: -834.376033
where:
bonds (distance) C4'-P energy: -160.976
bonds (distance) P-C4' energy: -162.913
flat angles C4'-P-C4' energy: -172.587
flat angles P-C4'-P energy: -112.351
tors. eta vs tors. theta energy: -225.549
Dist. restrs. and SS energy: 3.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2661.484857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.484857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.850810 (E_RNA)
where:
Base-Base interactions energy: -1821.915
where: short stacking energy: -772.940
Base-Backbone interact. energy: -5.060
local terms energy: -835.875353
where:
bonds (distance) C4'-P energy: -160.259
bonds (distance) P-C4' energy: -153.167
flat angles C4'-P-C4' energy: -173.233
flat angles P-C4'-P energy: -123.339
tors. eta vs tors. theta energy: -225.878
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: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2525.484942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.484942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.557392 (E_RNA)
where:
Base-Base interactions energy: -1705.130
where: short stacking energy: -705.134
Base-Backbone interact. energy: 5.010
local terms energy: -827.437367
where:
bonds (distance) C4'-P energy: -169.520
bonds (distance) P-C4' energy: -157.104
flat angles C4'-P-C4' energy: -169.670
flat angles P-C4'-P energy: -116.612
tors. eta vs tors. theta energy: -214.531
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: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2444.694490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.694490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.931612 (E_RNA)
where:
Base-Base interactions energy: -1669.040
where: short stacking energy: -723.701
Base-Backbone interact. energy: 1.284
local terms energy: -779.176002
where:
bonds (distance) C4'-P energy: -145.008
bonds (distance) P-C4' energy: -150.593
flat angles C4'-P-C4' energy: -177.513
flat angles P-C4'-P energy: -115.902
tors. eta vs tors. theta energy: -190.161
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2311.327856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.327856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.518036 (E_RNA)
where:
Base-Base interactions energy: -1612.732
where: short stacking energy: -690.991
Base-Backbone interact. energy: 1.423
local terms energy: -702.209261
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -170.258
flat angles P-C4'-P energy: -120.812
tors. eta vs tors. theta energy: -193.555
Dist. restrs. and SS energy: 2.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2155.492109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.492109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.653574 (E_RNA)
where:
Base-Base interactions energy: -1421.227
where: short stacking energy: -607.620
Base-Backbone interact. energy: -0.804
local terms energy: -736.622108
where:
bonds (distance) C4'-P energy: -156.213
bonds (distance) P-C4' energy: -146.455
flat angles C4'-P-C4' energy: -157.277
flat angles P-C4'-P energy: -108.262
tors. eta vs tors. theta energy: -168.415
Dist. restrs. and SS energy: 3.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2023.277763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.277763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.925891 (E_RNA)
where:
Base-Base interactions energy: -1376.569
where: short stacking energy: -598.238
Base-Backbone interact. energy: 1.889
local terms energy: -651.245818
where:
bonds (distance) C4'-P energy: -114.637
bonds (distance) P-C4' energy: -133.490
flat angles C4'-P-C4' energy: -152.377
flat angles P-C4'-P energy: -96.267
tors. eta vs tors. theta energy: -154.474
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1958.191266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.191266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.435144 (E_RNA)
where:
Base-Base interactions energy: -1347.832
where: short stacking energy: -557.272
Base-Backbone interact. energy: -4.644
local terms energy: -609.959102
where:
bonds (distance) C4'-P energy: -123.264
bonds (distance) P-C4' energy: -131.114
flat angles C4'-P-C4' energy: -117.177
flat angles P-C4'-P energy: -79.694
tors. eta vs tors. theta energy: -158.710
Dist. restrs. and SS energy: 4.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1813.268602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.268602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.985236 (E_RNA)
where:
Base-Base interactions energy: -1230.855
where: short stacking energy: -507.354
Base-Backbone interact. energy: -0.155
local terms energy: -585.975687
where:
bonds (distance) C4'-P energy: -121.140
bonds (distance) P-C4' energy: -122.216
flat angles C4'-P-C4' energy: -143.767
flat angles P-C4'-P energy: -79.271
tors. eta vs tors. theta energy: -119.582
Dist. restrs. and SS energy: 3.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2891.302033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.302033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.082907 (E_RNA)
where:
Base-Base interactions energy: -2012.753
where: short stacking energy: -843.424
Base-Backbone interact. energy: 1.316
local terms energy: -882.645447
where:
bonds (distance) C4'-P energy: -158.805
bonds (distance) P-C4' energy: -174.361
flat angles C4'-P-C4' energy: -178.836
flat angles P-C4'-P energy: -122.237
tors. eta vs tors. theta energy: -248.405
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2802.016649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.016649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.539740 (E_RNA)
where:
Base-Base interactions energy: -1948.088
where: short stacking energy: -816.760
Base-Backbone interact. energy: -0.854
local terms energy: -855.597834
where:
bonds (distance) C4'-P energy: -165.419
bonds (distance) P-C4' energy: -149.587
flat angles C4'-P-C4' energy: -177.827
flat angles P-C4'-P energy: -126.761
tors. eta vs tors. theta energy: -236.004
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: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2637.323023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.323023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.418086 (E_RNA)
where:
Base-Base interactions energy: -1802.018
where: short stacking energy: -763.510
Base-Backbone interact. energy: -1.873
local terms energy: -834.527129
where:
bonds (distance) C4'-P energy: -153.431
bonds (distance) P-C4' energy: -147.170
flat angles C4'-P-C4' energy: -177.144
flat angles P-C4'-P energy: -130.912
tors. eta vs tors. theta energy: -225.870
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: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2504.731946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.731946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.753384 (E_RNA)
where:
Base-Base interactions energy: -1700.182
where: short stacking energy: -743.137
Base-Backbone interact. energy: -0.314
local terms energy: -806.256662
where:
bonds (distance) C4'-P energy: -141.106
bonds (distance) P-C4' energy: -146.738
flat angles C4'-P-C4' energy: -182.726
flat angles P-C4'-P energy: -115.134
tors. eta vs tors. theta energy: -220.552
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2392.558747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.558747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.193772 (E_RNA)
where:
Base-Base interactions energy: -1676.677
where: short stacking energy: -693.815
Base-Backbone interact. energy: -1.077
local terms energy: -716.439160
where:
bonds (distance) C4'-P energy: -139.974
bonds (distance) P-C4' energy: -133.307
flat angles C4'-P-C4' energy: -144.777
flat angles P-C4'-P energy: -110.512
tors. eta vs tors. theta energy: -187.870
Dist. restrs. and SS energy: 1.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2306.132661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.132661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.783407 (E_RNA)
where:
Base-Base interactions energy: -1574.788
where: short stacking energy: -658.369
Base-Backbone interact. energy: -4.038
local terms energy: -729.957091
where:
bonds (distance) C4'-P energy: -140.954
bonds (distance) P-C4' energy: -139.381
flat angles C4'-P-C4' energy: -159.090
flat angles P-C4'-P energy: -102.944
tors. eta vs tors. theta energy: -187.588
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2097.246860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.246860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.601812 (E_RNA)
where:
Base-Base interactions energy: -1456.325
where: short stacking energy: -592.710
Base-Backbone interact. energy: -4.151
local terms energy: -638.125510
where:
bonds (distance) C4'-P energy: -121.471
bonds (distance) P-C4' energy: -131.266
flat angles C4'-P-C4' energy: -156.562
flat angles P-C4'-P energy: -62.751
tors. eta vs tors. theta energy: -166.076
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: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2001.844378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.844378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.868212 (E_RNA)
where:
Base-Base interactions energy: -1325.207
where: short stacking energy: -589.646
Base-Backbone interact. energy: 0.387
local terms energy: -682.048159
where:
bonds (distance) C4'-P energy: -136.339
bonds (distance) P-C4' energy: -151.532
flat angles C4'-P-C4' energy: -156.769
flat angles P-C4'-P energy: -93.283
tors. eta vs tors. theta energy: -144.126
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: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1963.034250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.034250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.451782 (E_RNA)
where:
Base-Base interactions energy: -1357.092
where: short stacking energy: -577.914
Base-Backbone interact. energy: 1.641
local terms energy: -611.001132
where:
bonds (distance) C4'-P energy: -121.377
bonds (distance) P-C4' energy: -110.598
flat angles C4'-P-C4' energy: -154.324
flat angles P-C4'-P energy: -76.325
tors. eta vs tors. theta energy: -148.378
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1840.199018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.199018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.875573 (E_RNA)
where:
Base-Base interactions energy: -1276.719
where: short stacking energy: -523.527
Base-Backbone interact. energy: 1.261
local terms energy: -567.417203
where:
bonds (distance) C4'-P energy: -107.425
bonds (distance) P-C4' energy: -109.015
flat angles C4'-P-C4' energy: -136.784
flat angles P-C4'-P energy: -75.944
tors. eta vs tors. theta energy: -138.249
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: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2904.721318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.721318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.564729 (E_RNA)
where:
Base-Base interactions energy: -2034.643
where: short stacking energy: -830.719
Base-Backbone interact. energy: -3.198
local terms energy: -869.723733
where:
bonds (distance) C4'-P energy: -153.999
bonds (distance) P-C4' energy: -159.154
flat angles C4'-P-C4' energy: -198.888
flat angles P-C4'-P energy: -124.306
tors. eta vs tors. theta energy: -233.377
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2785.550489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.550489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.040885 (E_RNA)
where:
Base-Base interactions energy: -1940.270
where: short stacking energy: -795.272
Base-Backbone interact. energy: 2.306
local terms energy: -850.076649
where:
bonds (distance) C4'-P energy: -158.492
bonds (distance) P-C4' energy: -176.130
flat angles C4'-P-C4' energy: -171.929
flat angles P-C4'-P energy: -117.089
tors. eta vs tors. theta energy: -226.436
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2651.461951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.461951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.892836 (E_RNA)
where:
Base-Base interactions energy: -1823.702
where: short stacking energy: -792.843
Base-Backbone interact. energy: 0.516
local terms energy: -829.706587
where:
bonds (distance) C4'-P energy: -130.542
bonds (distance) P-C4' energy: -160.280
flat angles C4'-P-C4' energy: -180.894
flat angles P-C4'-P energy: -120.805
tors. eta vs tors. theta energy: -237.185
Dist. restrs. and SS energy: 1.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2524.664162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.664162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.108629 (E_RNA)
where:
Base-Base interactions energy: -1713.311
where: short stacking energy: -752.711
Base-Backbone interact. energy: -3.966
local terms energy: -810.832238
where:
bonds (distance) C4'-P energy: -151.751
bonds (distance) P-C4' energy: -151.610
flat angles C4'-P-C4' energy: -187.398
flat angles P-C4'-P energy: -107.785
tors. eta vs tors. theta energy: -212.288
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: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2429.263613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.263613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.169520 (E_RNA)
where:
Base-Base interactions energy: -1636.257
where: short stacking energy: -699.913
Base-Backbone interact. energy: -1.099
local terms energy: -793.813474
where:
bonds (distance) C4'-P energy: -157.432
bonds (distance) P-C4' energy: -157.235
flat angles C4'-P-C4' energy: -166.731
flat angles P-C4'-P energy: -113.676
tors. eta vs tors. theta energy: -198.740
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2287.811485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.811485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.730303 (E_RNA)
where:
Base-Base interactions energy: -1568.856
where: short stacking energy: -659.931
Base-Backbone interact. energy: 1.001
local terms energy: -720.875415
where:
bonds (distance) C4'-P energy: -129.159
bonds (distance) P-C4' energy: -140.589
flat angles C4'-P-C4' energy: -167.571
flat angles P-C4'-P energy: -93.301
tors. eta vs tors. theta energy: -190.254
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: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2138.429717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.429717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.539299 (E_RNA)
where:
Base-Base interactions energy: -1448.346
where: short stacking energy: -630.865
Base-Backbone interact. energy: 0.424
local terms energy: -692.617707
where:
bonds (distance) C4'-P energy: -135.655
bonds (distance) P-C4' energy: -135.696
flat angles C4'-P-C4' energy: -161.312
flat angles P-C4'-P energy: -86.983
tors. eta vs tors. theta energy: -172.972
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2014.786528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.786528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.058483 (E_RNA)
where:
Base-Base interactions energy: -1380.007
where: short stacking energy: -553.288
Base-Backbone interact. energy: -0.412
local terms energy: -637.639600
where:
bonds (distance) C4'-P energy: -134.102
bonds (distance) P-C4' energy: -136.977
flat angles C4'-P-C4' energy: -136.538
flat angles P-C4'-P energy: -83.287
tors. eta vs tors. theta energy: -146.736
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: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1953.125839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.125839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.283643 (E_RNA)
where:
Base-Base interactions energy: -1299.394
where: short stacking energy: -538.367
Base-Backbone interact. energy: -3.539
local terms energy: -652.350698
where:
bonds (distance) C4'-P energy: -137.067
bonds (distance) P-C4' energy: -119.161
flat angles C4'-P-C4' energy: -151.215
flat angles P-C4'-P energy: -100.672
tors. eta vs tors. theta energy: -144.236
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1873.326789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.326789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.540127 (E_RNA)
where:
Base-Base interactions energy: -1270.013
where: short stacking energy: -524.982
Base-Backbone interact. energy: -0.332
local terms energy: -606.194957
where:
bonds (distance) C4'-P energy: -117.932
bonds (distance) P-C4' energy: -131.775
flat angles C4'-P-C4' energy: -138.803
flat angles P-C4'-P energy: -89.108
tors. eta vs tors. theta energy: -128.576
Dist. restrs. and SS energy: 3.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2902.916302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.916302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.128546 (E_RNA)
where:
Base-Base interactions energy: -2035.675
where: short stacking energy: -835.239
Base-Backbone interact. energy: -2.931
local terms energy: -866.521842
where:
bonds (distance) C4'-P energy: -149.207
bonds (distance) P-C4' energy: -166.037
flat angles C4'-P-C4' energy: -188.587
flat angles P-C4'-P energy: -110.311
tors. eta vs tors. theta energy: -252.379
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: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2777.812311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.812311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.617700 (E_RNA)
where:
Base-Base interactions energy: -1918.195
where: short stacking energy: -785.018
Base-Backbone interact. energy: -0.085
local terms energy: -862.337868
where:
bonds (distance) C4'-P energy: -158.864
bonds (distance) P-C4' energy: -151.133
flat angles C4'-P-C4' energy: -187.197
flat angles P-C4'-P energy: -124.486
tors. eta vs tors. theta energy: -240.657
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: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2611.924741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.924741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.682591 (E_RNA)
where:
Base-Base interactions energy: -1785.749
where: short stacking energy: -741.728
Base-Backbone interact. energy: -4.054
local terms energy: -823.879154
where:
bonds (distance) C4'-P energy: -167.602
bonds (distance) P-C4' energy: -143.231
flat angles C4'-P-C4' energy: -182.382
flat angles P-C4'-P energy: -109.906
tors. eta vs tors. theta energy: -220.757
Dist. restrs. and SS energy: 1.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2565.817761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.817761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.311549 (E_RNA)
where:
Base-Base interactions energy: -1749.385
where: short stacking energy: -759.947
Base-Backbone interact. energy: -1.349
local terms energy: -818.577831
where:
bonds (distance) C4'-P energy: -151.036
bonds (distance) P-C4' energy: -147.736
flat angles C4'-P-C4' energy: -166.993
flat angles P-C4'-P energy: -118.706
tors. eta vs tors. theta energy: -234.106
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: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2400.797770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.797770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.209873 (E_RNA)
where:
Base-Base interactions energy: -1651.378
where: short stacking energy: -695.053
Base-Backbone interact. energy: 0.853
local terms energy: -751.685095
where:
bonds (distance) C4'-P energy: -126.732
bonds (distance) P-C4' energy: -139.252
flat angles C4'-P-C4' energy: -165.804
flat angles P-C4'-P energy: -124.239
tors. eta vs tors. theta energy: -195.658
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2353.954113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.954113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.945964 (E_RNA)
where:
Base-Base interactions energy: -1599.395
where: short stacking energy: -684.866
Base-Backbone interact. energy: -0.417
local terms energy: -756.133341
where:
bonds (distance) C4'-P energy: -141.873
bonds (distance) P-C4' energy: -137.566
flat angles C4'-P-C4' energy: -169.586
flat angles P-C4'-P energy: -105.498
tors. eta vs tors. theta energy: -201.610
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: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2105.473212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.473212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.947427 (E_RNA)
where:
Base-Base interactions energy: -1444.764
where: short stacking energy: -611.723
Base-Backbone interact. energy: -5.663
local terms energy: -657.520929
where:
bonds (distance) C4'-P energy: -122.572
bonds (distance) P-C4' energy: -134.718
flat angles C4'-P-C4' energy: -150.617
flat angles P-C4'-P energy: -86.561
tors. eta vs tors. theta energy: -163.053
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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1979.201732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.993869 (E_RNA)
where:
Base-Base interactions energy: -1327.441
where: short stacking energy: -528.870
Base-Backbone interact. energy: 0.150
local terms energy: -654.702431
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -142.137
flat angles C4'-P-C4' energy: -143.098
flat angles P-C4'-P energy: -97.210
tors. eta vs tors. theta energy: -140.802
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1986.257946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.257946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.016096 (E_RNA)
where:
Base-Base interactions energy: -1343.939
where: short stacking energy: -559.110
Base-Backbone interact. energy: 1.304
local terms energy: -647.380315
where:
bonds (distance) C4'-P energy: -143.913
bonds (distance) P-C4' energy: -126.032
flat angles C4'-P-C4' energy: -150.550
flat angles P-C4'-P energy: -79.277
tors. eta vs tors. theta energy: -147.608
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: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1872.845210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.845210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.819337 (E_RNA)
where:
Base-Base interactions energy: -1295.287
where: short stacking energy: -536.045
Base-Backbone interact. energy: -0.788
local terms energy: -581.744735
where:
bonds (distance) C4'-P energy: -110.736
bonds (distance) P-C4' energy: -130.963
flat angles C4'-P-C4' energy: -125.586
flat angles P-C4'-P energy: -79.630
tors. eta vs tors. theta energy: -134.830
Dist. restrs. and SS energy: 4.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2913.283063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.283063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.201927 (E_RNA)
where:
Base-Base interactions energy: -2014.149
where: short stacking energy: -828.928
Base-Backbone interact. energy: -5.053
local terms energy: -896.999778
where:
bonds (distance) C4'-P energy: -173.087
bonds (distance) P-C4' energy: -168.104
flat angles C4'-P-C4' energy: -181.541
flat angles P-C4'-P energy: -126.078
tors. eta vs tors. theta energy: -248.190
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2770.625759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.625759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.255126 (E_RNA)
where:
Base-Base interactions energy: -1933.104
where: short stacking energy: -798.296
Base-Backbone interact. energy: -1.183
local terms energy: -838.968178
where:
bonds (distance) C4'-P energy: -165.524
bonds (distance) P-C4' energy: -164.859
flat angles C4'-P-C4' energy: -182.600
flat angles P-C4'-P energy: -99.606
tors. eta vs tors. theta energy: -226.379
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: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2686.175165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.175165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.474306 (E_RNA)
where:
Base-Base interactions energy: -1850.977
where: short stacking energy: -798.417
Base-Backbone interact. energy: -0.628
local terms energy: -836.868639
where:
bonds (distance) C4'-P energy: -138.669
bonds (distance) P-C4' energy: -152.072
flat angles C4'-P-C4' energy: -198.939
flat angles P-C4'-P energy: -106.538
tors. eta vs tors. theta energy: -240.651
Dist. restrs. and SS energy: 2.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2530.090939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.090939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.212722 (E_RNA)
where:
Base-Base interactions energy: -1728.082
where: short stacking energy: -727.131
Base-Backbone interact. energy: -0.717
local terms energy: -804.413811
where:
bonds (distance) C4'-P energy: -145.221
bonds (distance) P-C4' energy: -152.853
flat angles C4'-P-C4' energy: -171.874
flat angles P-C4'-P energy: -113.216
tors. eta vs tors. theta energy: -221.249
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: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2400.012921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.012921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.166198 (E_RNA)
where:
Base-Base interactions energy: -1618.924
where: short stacking energy: -708.475
Base-Backbone interact. energy: 0.650
local terms energy: -783.892770
where:
bonds (distance) C4'-P energy: -142.316
bonds (distance) P-C4' energy: -157.790
flat angles C4'-P-C4' energy: -181.853
flat angles P-C4'-P energy: -102.985
tors. eta vs tors. theta energy: -198.949
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2288.996685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.996685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.742814 (E_RNA)
where:
Base-Base interactions energy: -1538.995
where: short stacking energy: -664.896
Base-Backbone interact. energy: -0.699
local terms energy: -752.048761
where:
bonds (distance) C4'-P energy: -138.212
bonds (distance) P-C4' energy: -152.625
flat angles C4'-P-C4' energy: -159.850
flat angles P-C4'-P energy: -98.296
tors. eta vs tors. theta energy: -203.066
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: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2106.879345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.879345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.257349 (E_RNA)
where:
Base-Base interactions energy: -1427.411
where: short stacking energy: -629.201
Base-Backbone interact. energy: 2.764
local terms energy: -685.610310
where:
bonds (distance) C4'-P energy: -132.246
bonds (distance) P-C4' energy: -121.396
flat angles C4'-P-C4' energy: -155.777
flat angles P-C4'-P energy: -112.292
tors. eta vs tors. theta energy: -163.899
Dist. restrs. and SS energy: 3.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2018.483461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.483461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.275131 (E_RNA)
where:
Base-Base interactions energy: -1366.340
where: short stacking energy: -567.265
Base-Backbone interact. energy: -3.700
local terms energy: -650.235375
where:
bonds (distance) C4'-P energy: -121.143
bonds (distance) P-C4' energy: -136.330
flat angles C4'-P-C4' energy: -158.276
flat angles P-C4'-P energy: -81.376
tors. eta vs tors. theta energy: -153.111
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: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1934.119011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.119011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.844540 (E_RNA)
where:
Base-Base interactions energy: -1325.449
where: short stacking energy: -562.124
Base-Backbone interact. energy: -1.532
local terms energy: -611.863533
where:
bonds (distance) C4'-P energy: -106.355
bonds (distance) P-C4' energy: -134.423
flat angles C4'-P-C4' energy: -149.382
flat angles P-C4'-P energy: -84.333
tors. eta vs tors. theta energy: -137.370
Dist. restrs. and SS energy: 4.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1888.371302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.371302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.751164 (E_RNA)
where:
Base-Base interactions energy: -1329.943
where: short stacking energy: -563.506
Base-Backbone interact. energy: 2.995
local terms energy: -562.802880
where:
bonds (distance) C4'-P energy: -126.895
bonds (distance) P-C4' energy: -102.715
flat angles C4'-P-C4' energy: -120.128
flat angles P-C4'-P energy: -73.799
tors. eta vs tors. theta energy: -139.266
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2870.637286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.637286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.779646 (E_RNA)
where:
Base-Base interactions energy: -1999.923
where: short stacking energy: -835.647
Base-Backbone interact. energy: 4.524
local terms energy: -878.380852
where:
bonds (distance) C4'-P energy: -165.651
bonds (distance) P-C4' energy: -170.221
flat angles C4'-P-C4' energy: -173.944
flat angles P-C4'-P energy: -122.100
tors. eta vs tors. theta energy: -246.465
Dist. restrs. and SS energy: 3.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2794.796745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.796745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.303472 (E_RNA)
where:
Base-Base interactions energy: -1930.871
where: short stacking energy: -782.679
Base-Backbone interact. energy: -4.567
local terms energy: -862.865836
where:
bonds (distance) C4'-P energy: -155.754
bonds (distance) P-C4' energy: -169.783
flat angles C4'-P-C4' energy: -189.864
flat angles P-C4'-P energy: -115.773
tors. eta vs tors. theta energy: -231.691
Dist. restrs. and SS energy: 3.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2678.026454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.026454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.311233 (E_RNA)
where:
Base-Base interactions energy: -1811.010
where: short stacking energy: -772.291
Base-Backbone interact. energy: -0.872
local terms energy: -867.428993
where:
bonds (distance) C4'-P energy: -151.892
bonds (distance) P-C4' energy: -156.436
flat angles C4'-P-C4' energy: -191.320
flat angles P-C4'-P energy: -135.824
tors. eta vs tors. theta energy: -231.957
Dist. restrs. and SS energy: 1.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2573.644024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.644024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.918135 (E_RNA)
where:
Base-Base interactions energy: -1719.540
where: short stacking energy: -722.698
Base-Backbone interact. energy: 0.690
local terms energy: -856.067870
where:
bonds (distance) C4'-P energy: -164.250
bonds (distance) P-C4' energy: -170.113
flat angles C4'-P-C4' energy: -188.417
flat angles P-C4'-P energy: -113.594
tors. eta vs tors. theta energy: -219.694
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2377.041214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.041214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.841685 (E_RNA)
where:
Base-Base interactions energy: -1626.861
where: short stacking energy: -672.259
Base-Backbone interact. energy: 1.639
local terms energy: -754.619445
where:
bonds (distance) C4'-P energy: -149.025
bonds (distance) P-C4' energy: -144.406
flat angles C4'-P-C4' energy: -158.149
flat angles P-C4'-P energy: -113.640
tors. eta vs tors. theta energy: -189.400
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: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2272.708584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.265969 (E_RNA)
where:
Base-Base interactions energy: -1591.836
where: short stacking energy: -674.513
Base-Backbone interact. energy: 2.177
local terms energy: -684.607360
where:
bonds (distance) C4'-P energy: -126.581
bonds (distance) P-C4' energy: -147.567
flat angles C4'-P-C4' energy: -140.736
flat angles P-C4'-P energy: -82.069
tors. eta vs tors. theta energy: -187.654
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2066.992897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.992897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.340547 (E_RNA)
where:
Base-Base interactions energy: -1395.338
where: short stacking energy: -578.183
Base-Backbone interact. energy: -1.089
local terms energy: -672.914159
where:
bonds (distance) C4'-P energy: -128.784
bonds (distance) P-C4' energy: -161.382
flat angles C4'-P-C4' energy: -139.700
flat angles P-C4'-P energy: -102.040
tors. eta vs tors. theta energy: -141.008
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: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2034.331023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.331023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.409115 (E_RNA)
where:
Base-Base interactions energy: -1354.673
where: short stacking energy: -554.366
Base-Backbone interact. energy: 3.410
local terms energy: -686.146062
where:
bonds (distance) C4'-P energy: -132.559
bonds (distance) P-C4' energy: -144.565
flat angles C4'-P-C4' energy: -151.539
flat angles P-C4'-P energy: -95.934
tors. eta vs tors. theta energy: -161.548
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1987.730367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.730367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.317243 (E_RNA)
where:
Base-Base interactions energy: -1312.022
where: short stacking energy: -533.250
Base-Backbone interact. energy: -4.504
local terms energy: -673.790850
where:
bonds (distance) C4'-P energy: -109.039
bonds (distance) P-C4' energy: -142.078
flat angles C4'-P-C4' energy: -166.258
flat angles P-C4'-P energy: -102.634
tors. eta vs tors. theta energy: -153.781
Dist. restrs. and SS energy: 2.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1847.677405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.677405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.188146 (E_RNA)
where:
Base-Base interactions energy: -1278.726
where: short stacking energy: -511.903
Base-Backbone interact. energy: 2.761
local terms energy: -577.223007
where:
bonds (distance) C4'-P energy: -105.059
bonds (distance) P-C4' energy: -125.940
flat angles C4'-P-C4' energy: -141.133
flat angles P-C4'-P energy: -90.663
tors. eta vs tors. theta energy: -114.427
Dist. restrs. and SS energy: 5.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2899.695067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.695067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.080141 (E_RNA)
where:
Base-Base interactions energy: -2038.130
where: short stacking energy: -846.578
Base-Backbone interact. energy: -5.232
local terms energy: -858.717757
where:
bonds (distance) C4'-P energy: -144.543
bonds (distance) P-C4' energy: -153.690
flat angles C4'-P-C4' energy: -189.535
flat angles P-C4'-P energy: -122.795
tors. eta vs tors. theta energy: -248.155
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: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2788.973439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.973439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.819678 (E_RNA)
where:
Base-Base interactions energy: -1910.879
where: short stacking energy: -808.222
Base-Backbone interact. energy: -2.199
local terms energy: -878.741319
where:
bonds (distance) C4'-P energy: -166.272
bonds (distance) P-C4' energy: -169.479
flat angles C4'-P-C4' energy: -184.184
flat angles P-C4'-P energy: -118.868
tors. eta vs tors. theta energy: -239.939
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2655.986669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.986669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.546049 (E_RNA)
where:
Base-Base interactions energy: -1828.450
where: short stacking energy: -776.633
Base-Backbone interact. energy: -1.439
local terms energy: -827.657757
where:
bonds (distance) C4'-P energy: -151.218
bonds (distance) P-C4' energy: -161.311
flat angles C4'-P-C4' energy: -176.279
flat angles P-C4'-P energy: -117.674
tors. eta vs tors. theta energy: -221.176
Dist. restrs. and SS energy: 1.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2540.108121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.108121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.788852 (E_RNA)
where:
Base-Base interactions energy: -1719.289
where: short stacking energy: -737.533
Base-Backbone interact. energy: -4.163
local terms energy: -818.336781
where:
bonds (distance) C4'-P energy: -151.569
bonds (distance) P-C4' energy: -162.283
flat angles C4'-P-C4' energy: -174.761
flat angles P-C4'-P energy: -111.764
tors. eta vs tors. theta energy: -217.960
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2403.551881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.551881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.046733 (E_RNA)
where:
Base-Base interactions energy: -1673.258
where: short stacking energy: -723.401
Base-Backbone interact. energy: 0.660
local terms energy: -734.448361
where:
bonds (distance) C4'-P energy: -125.291
bonds (distance) P-C4' energy: -151.926
flat angles C4'-P-C4' energy: -171.452
flat angles P-C4'-P energy: -96.069
tors. eta vs tors. theta energy: -189.710
Dist. restrs. and SS energy: 3.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2273.187276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.187276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.368868 (E_RNA)
where:
Base-Base interactions energy: -1553.414
where: short stacking energy: -638.980
Base-Backbone interact. energy: -2.624
local terms energy: -719.330851
where:
bonds (distance) C4'-P energy: -131.514
bonds (distance) P-C4' energy: -141.230
flat angles C4'-P-C4' energy: -163.705
flat angles P-C4'-P energy: -104.491
tors. eta vs tors. theta energy: -178.392
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2071.547000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.547000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.060281 (E_RNA)
where:
Base-Base interactions energy: -1398.165
where: short stacking energy: -597.908
Base-Backbone interact. energy: -1.837
local terms energy: -674.058324
where:
bonds (distance) C4'-P energy: -122.782
bonds (distance) P-C4' energy: -146.047
flat angles C4'-P-C4' energy: -151.110
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -161.954
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: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -2052.532668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.532668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.731926 (E_RNA)
where:
Base-Base interactions energy: -1387.580
where: short stacking energy: -596.814
Base-Backbone interact. energy: 1.066
local terms energy: -669.218194
where:
bonds (distance) C4'-P energy: -129.573
bonds (distance) P-C4' energy: -142.812
flat angles C4'-P-C4' energy: -151.244
flat angles P-C4'-P energy: -84.018
tors. eta vs tors. theta energy: -161.570
Dist. restrs. and SS energy: 3.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1979.056508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.056508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.735374 (E_RNA)
where:
Base-Base interactions energy: -1345.586
where: short stacking energy: -562.096
Base-Backbone interact. energy: -0.771
local terms energy: -635.378528
where:
bonds (distance) C4'-P energy: -117.226
bonds (distance) P-C4' energy: -146.498
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -86.568
tors. eta vs tors. theta energy: -146.760
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: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1905.230216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.230216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.580157 (E_RNA)
where:
Base-Base interactions energy: -1302.684
where: short stacking energy: -556.232
Base-Backbone interact. energy: 1.336
local terms energy: -606.232311
where:
bonds (distance) C4'-P energy: -111.230
bonds (distance) P-C4' energy: -136.311
flat angles C4'-P-C4' energy: -136.019
flat angles P-C4'-P energy: -68.355
tors. eta vs tors. theta energy: -154.318
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2882.747240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.747240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.309510 (E_RNA)
where:
Base-Base interactions energy: -1974.738
where: short stacking energy: -815.161
Base-Backbone interact. energy: -7.038
local terms energy: -903.533226
where:
bonds (distance) C4'-P energy: -165.921
bonds (distance) P-C4' energy: -169.581
flat angles C4'-P-C4' energy: -186.810
flat angles P-C4'-P energy: -139.410
tors. eta vs tors. theta energy: -241.812
Dist. restrs. and SS energy: 2.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2709.921334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.921334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.110607 (E_RNA)
where:
Base-Base interactions energy: -1896.911
where: short stacking energy: -785.833
Base-Backbone interact. energy: 3.291
local terms energy: -818.490558
where:
bonds (distance) C4'-P energy: -157.136
bonds (distance) P-C4' energy: -145.692
flat angles C4'-P-C4' energy: -174.683
flat angles P-C4'-P energy: -117.668
tors. eta vs tors. theta energy: -223.311
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: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2659.043487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.043487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.166979 (E_RNA)
where:
Base-Base interactions energy: -1823.411
where: short stacking energy: -781.068
Base-Backbone interact. energy: -0.699
local terms energy: -837.057315
where:
bonds (distance) C4'-P energy: -144.478
bonds (distance) P-C4' energy: -161.674
flat angles C4'-P-C4' energy: -179.739
flat angles P-C4'-P energy: -120.644
tors. eta vs tors. theta energy: -230.522
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: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2527.032528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.032528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.883065 (E_RNA)
where:
Base-Base interactions energy: -1718.716
where: short stacking energy: -753.360
Base-Backbone interact. energy: -1.419
local terms energy: -808.748349
where:
bonds (distance) C4'-P energy: -138.213
bonds (distance) P-C4' energy: -153.796
flat angles C4'-P-C4' energy: -172.167
flat angles P-C4'-P energy: -118.472
tors. eta vs tors. theta energy: -226.101
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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2428.763020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.763020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.414823 (E_RNA)
where:
Base-Base interactions energy: -1663.310
where: short stacking energy: -689.418
Base-Backbone interact. energy: 1.257
local terms energy: -769.361033
where:
bonds (distance) C4'-P energy: -149.740
bonds (distance) P-C4' energy: -148.096
flat angles C4'-P-C4' energy: -168.433
flat angles P-C4'-P energy: -98.514
tors. eta vs tors. theta energy: -204.578
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2298.671568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.671568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.738977 (E_RNA)
where:
Base-Base interactions energy: -1575.571
where: short stacking energy: -677.887
Base-Backbone interact. energy: -0.466
local terms energy: -725.701899
where:
bonds (distance) C4'-P energy: -120.938
bonds (distance) P-C4' energy: -144.383
flat angles C4'-P-C4' energy: -156.868
flat angles P-C4'-P energy: -108.978
tors. eta vs tors. theta energy: -194.535
Dist. restrs. and SS energy: 3.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2159.287003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.287003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.723818 (E_RNA)
where:
Base-Base interactions energy: -1461.090
where: short stacking energy: -624.554
Base-Backbone interact. energy: -3.512
local terms energy: -696.121230
where:
bonds (distance) C4'-P energy: -127.070
bonds (distance) P-C4' energy: -141.655
flat angles C4'-P-C4' energy: -155.184
flat angles P-C4'-P energy: -90.597
tors. eta vs tors. theta energy: -181.615
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: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2015.546971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.546971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.854201 (E_RNA)
where:
Base-Base interactions energy: -1339.828
where: short stacking energy: -562.562
Base-Backbone interact. energy: -6.279
local terms energy: -671.747147
where:
bonds (distance) C4'-P energy: -135.638
bonds (distance) P-C4' energy: -131.118
flat angles C4'-P-C4' energy: -152.453
flat angles P-C4'-P energy: -92.751
tors. eta vs tors. theta energy: -159.787
Dist. restrs. and SS energy: 2.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1955.612429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.612429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.641184 (E_RNA)
where:
Base-Base interactions energy: -1320.713
where: short stacking energy: -563.735
Base-Backbone interact. energy: 5.249
local terms energy: -642.177209
where:
bonds (distance) C4'-P energy: -136.245
bonds (distance) P-C4' energy: -144.899
flat angles C4'-P-C4' energy: -122.709
flat angles P-C4'-P energy: -91.719
tors. eta vs tors. theta energy: -146.604
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: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1861.952432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.952432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.401154 (E_RNA)
where:
Base-Base interactions energy: -1239.870
where: short stacking energy: -497.090
Base-Backbone interact. energy: 4.627
local terms energy: -629.157926
where:
bonds (distance) C4'-P energy: -113.322
bonds (distance) P-C4' energy: -135.590
flat angles C4'-P-C4' energy: -141.943
flat angles P-C4'-P energy: -103.839
tors. eta vs tors. theta energy: -134.464
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: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2922.079498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.079498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.780618 (E_RNA)
where:
Base-Base interactions energy: -2065.975
where: short stacking energy: -822.421
Base-Backbone interact. energy: -3.996
local terms energy: -854.809484
where:
bonds (distance) C4'-P energy: -159.146
bonds (distance) P-C4' energy: -160.733
flat angles C4'-P-C4' energy: -170.927
flat angles P-C4'-P energy: -114.688
tors. eta vs tors. theta energy: -249.315
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2755.492319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.492319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.666777 (E_RNA)
where:
Base-Base interactions energy: -1878.660
where: short stacking energy: -784.754
Base-Backbone interact. energy: -0.207
local terms energy: -877.800078
where:
bonds (distance) C4'-P energy: -169.306
bonds (distance) P-C4' energy: -167.278
flat angles C4'-P-C4' energy: -191.068
flat angles P-C4'-P energy: -119.505
tors. eta vs tors. theta energy: -230.644
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: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2642.291550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.291550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.116118 (E_RNA)
where:
Base-Base interactions energy: -1806.798
where: short stacking energy: -765.035
Base-Backbone interact. energy: 0.937
local terms energy: -838.254992
where:
bonds (distance) C4'-P energy: -135.179
bonds (distance) P-C4' energy: -159.229
flat angles C4'-P-C4' energy: -177.445
flat angles P-C4'-P energy: -134.339
tors. eta vs tors. theta energy: -232.063
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: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2547.035599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.035599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.792868 (E_RNA)
where:
Base-Base interactions energy: -1767.825
where: short stacking energy: -753.254
Base-Backbone interact. energy: -0.449
local terms energy: -780.519504
where:
bonds (distance) C4'-P energy: -135.155
bonds (distance) P-C4' energy: -147.380
flat angles C4'-P-C4' energy: -174.421
flat angles P-C4'-P energy: -103.570
tors. eta vs tors. theta energy: -219.993
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: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2363.345919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.345919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.489790 (E_RNA)
where:
Base-Base interactions energy: -1618.519
where: short stacking energy: -706.270
Base-Backbone interact. energy: -3.989
local terms energy: -742.981728
where:
bonds (distance) C4'-P energy: -131.258
bonds (distance) P-C4' energy: -144.686
flat angles C4'-P-C4' energy: -159.830
flat angles P-C4'-P energy: -124.652
tors. eta vs tors. theta energy: -182.555
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: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2297.163678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.163678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.348409 (E_RNA)
where:
Base-Base interactions energy: -1554.355
where: short stacking energy: -633.429
Base-Backbone interact. energy: -0.544
local terms energy: -744.449589
where:
bonds (distance) C4'-P energy: -159.044
bonds (distance) P-C4' energy: -137.067
flat angles C4'-P-C4' energy: -165.818
flat angles P-C4'-P energy: -109.993
tors. eta vs tors. theta energy: -172.528
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2141.223533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.223533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.868749 (E_RNA)
where:
Base-Base interactions energy: -1468.162
where: short stacking energy: -630.763
Base-Backbone interact. energy: -0.799
local terms energy: -674.907266
where:
bonds (distance) C4'-P energy: -146.102
bonds (distance) P-C4' energy: -112.628
flat angles C4'-P-C4' energy: -150.070
flat angles P-C4'-P energy: -107.476
tors. eta vs tors. theta energy: -158.630
Dist. restrs. and SS energy: 2.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -2021.812265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.812265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.882545 (E_RNA)
where:
Base-Base interactions energy: -1371.252
where: short stacking energy: -557.407
Base-Backbone interact. energy: -2.442
local terms energy: -650.188255
where:
bonds (distance) C4'-P energy: -137.492
bonds (distance) P-C4' energy: -136.558
flat angles C4'-P-C4' energy: -150.788
flat angles P-C4'-P energy: -87.515
tors. eta vs tors. theta energy: -137.836
Dist. restrs. and SS energy: 2.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1928.778877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.778877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.497575 (E_RNA)
where:
Base-Base interactions energy: -1316.593
where: short stacking energy: -543.555
Base-Backbone interact. energy: -1.095
local terms energy: -613.809661
where:
bonds (distance) C4'-P energy: -98.546
bonds (distance) P-C4' energy: -133.071
flat angles C4'-P-C4' energy: -146.318
flat angles P-C4'-P energy: -98.885
tors. eta vs tors. theta energy: -136.990
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1876.987608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.987608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.488762 (E_RNA)
where:
Base-Base interactions energy: -1301.896
where: short stacking energy: -537.357
Base-Backbone interact. energy: 3.395
local terms energy: -580.987706
where:
bonds (distance) C4'-P energy: -120.015
bonds (distance) P-C4' energy: -139.665
flat angles C4'-P-C4' energy: -128.843
flat angles P-C4'-P energy: -68.597
tors. eta vs tors. theta energy: -123.868
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: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2909.793092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.793092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.313756 (E_RNA)
where:
Base-Base interactions energy: -2056.740
where: short stacking energy: -861.609
Base-Backbone interact. energy: -4.834
local terms energy: -850.739728
where:
bonds (distance) C4'-P energy: -145.418
bonds (distance) P-C4' energy: -162.292
flat angles C4'-P-C4' energy: -181.254
flat angles P-C4'-P energy: -121.815
tors. eta vs tors. theta energy: -239.960
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: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2758.936283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.936283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.292755 (E_RNA)
where:
Base-Base interactions energy: -1910.407
where: short stacking energy: -782.836
Base-Backbone interact. energy: -0.394
local terms energy: -849.491177
where:
bonds (distance) C4'-P energy: -150.256
bonds (distance) P-C4' energy: -176.045
flat angles C4'-P-C4' energy: -179.170
flat angles P-C4'-P energy: -118.902
tors. eta vs tors. theta energy: -225.119
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2655.144674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.144674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.652197 (E_RNA)
where:
Base-Base interactions energy: -1837.311
where: short stacking energy: -776.245
Base-Backbone interact. energy: -0.583
local terms energy: -819.758344
where:
bonds (distance) C4'-P energy: -149.251
bonds (distance) P-C4' energy: -142.668
flat angles C4'-P-C4' energy: -176.216
flat angles P-C4'-P energy: -122.056
tors. eta vs tors. theta energy: -229.568
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2580.662885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.662885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.385857 (E_RNA)
where:
Base-Base interactions energy: -1774.246
where: short stacking energy: -781.271
Base-Backbone interact. energy: 3.667
local terms energy: -811.806636
where:
bonds (distance) C4'-P energy: -142.975
bonds (distance) P-C4' energy: -151.711
flat angles C4'-P-C4' energy: -167.280
flat angles P-C4'-P energy: -115.681
tors. eta vs tors. theta energy: -234.161
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2410.664975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.664975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.624995 (E_RNA)
where:
Base-Base interactions energy: -1632.245
where: short stacking energy: -671.250
Base-Backbone interact. energy: 0.476
local terms energy: -780.856111
where:
bonds (distance) C4'-P energy: -140.346
bonds (distance) P-C4' energy: -154.067
flat angles C4'-P-C4' energy: -174.119
flat angles P-C4'-P energy: -116.220
tors. eta vs tors. theta energy: -196.104
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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2283.252311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.252311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.979442 (E_RNA)
where:
Base-Base interactions energy: -1550.915
where: short stacking energy: -661.885
Base-Backbone interact. energy: -4.640
local terms energy: -730.424443
where:
bonds (distance) C4'-P energy: -130.572
bonds (distance) P-C4' energy: -157.955
flat angles C4'-P-C4' energy: -157.984
flat angles P-C4'-P energy: -93.503
tors. eta vs tors. theta energy: -190.409
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: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2127.187006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.187006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.657075 (E_RNA)
where:
Base-Base interactions energy: -1424.609
where: short stacking energy: -616.759
Base-Backbone interact. energy: -0.636
local terms energy: -704.412405
where:
bonds (distance) C4'-P energy: -150.721
bonds (distance) P-C4' energy: -137.955
flat angles C4'-P-C4' energy: -165.455
flat angles P-C4'-P energy: -89.142
tors. eta vs tors. theta energy: -161.138
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: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1999.240628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.240628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.870304 (E_RNA)
where:
Base-Base interactions energy: -1329.290
where: short stacking energy: -553.278
Base-Backbone interact. energy: -1.963
local terms energy: -669.617273
where:
bonds (distance) C4'-P energy: -119.358
bonds (distance) P-C4' energy: -153.065
flat angles C4'-P-C4' energy: -143.357
flat angles P-C4'-P energy: -100.557
tors. eta vs tors. theta energy: -153.280
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: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1891.415213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.415213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.447897 (E_RNA)
where:
Base-Base interactions energy: -1276.885
where: short stacking energy: -509.584
Base-Backbone interact. energy: -0.285
local terms energy: -619.277932
where:
bonds (distance) C4'-P energy: -104.525
bonds (distance) P-C4' energy: -152.308
flat angles C4'-P-C4' energy: -152.921
flat angles P-C4'-P energy: -87.513
tors. eta vs tors. theta energy: -122.011
Dist. restrs. and SS energy: 5.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1855.364476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.364476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.814336 (E_RNA)
where:
Base-Base interactions energy: -1257.522
where: short stacking energy: -522.210
Base-Backbone interact. energy: 3.482
local terms energy: -605.774271
where:
bonds (distance) C4'-P energy: -105.740
bonds (distance) P-C4' energy: -141.778
flat angles C4'-P-C4' energy: -130.800
flat angles P-C4'-P energy: -88.633
tors. eta vs tors. theta energy: -138.823
Dist. restrs. and SS energy: 4.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2923.933609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.933609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.038564 (E_RNA)
where:
Base-Base interactions energy: -2038.407
where: short stacking energy: -825.091
Base-Backbone interact. energy: -5.647
local terms energy: -882.984742
where:
bonds (distance) C4'-P energy: -155.446
bonds (distance) P-C4' energy: -170.029
flat angles C4'-P-C4' energy: -187.616
flat angles P-C4'-P energy: -120.770
tors. eta vs tors. theta energy: -249.124
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2776.839498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.839498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.690527 (E_RNA)
where:
Base-Base interactions energy: -1936.973
where: short stacking energy: -819.305
Base-Backbone interact. energy: -3.331
local terms energy: -838.386390
where:
bonds (distance) C4'-P energy: -146.809
bonds (distance) P-C4' energy: -162.088
flat angles C4'-P-C4' energy: -169.965
flat angles P-C4'-P energy: -128.186
tors. eta vs tors. theta energy: -231.339
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: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2681.390784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.390784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.954546 (E_RNA)
where:
Base-Base interactions energy: -1870.722
where: short stacking energy: -786.567
Base-Backbone interact. energy: -2.207
local terms energy: -810.025537
where:
bonds (distance) C4'-P energy: -152.945
bonds (distance) P-C4' energy: -148.197
flat angles C4'-P-C4' energy: -169.092
flat angles P-C4'-P energy: -111.137
tors. eta vs tors. theta energy: -228.654
Dist. restrs. and SS energy: 1.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2529.243544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.243544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.386694 (E_RNA)
where:
Base-Base interactions energy: -1727.138
where: short stacking energy: -711.697
Base-Backbone interact. energy: 0.836
local terms energy: -804.084028
where:
bonds (distance) C4'-P energy: -149.667
bonds (distance) P-C4' energy: -155.563
flat angles C4'-P-C4' energy: -179.761
flat angles P-C4'-P energy: -111.927
tors. eta vs tors. theta energy: -207.166
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: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2372.634300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.634300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.287001 (E_RNA)
where:
Base-Base interactions energy: -1604.892
where: short stacking energy: -675.568
Base-Backbone interact. energy: -3.528
local terms energy: -765.866807
where:
bonds (distance) C4'-P energy: -126.231
bonds (distance) P-C4' energy: -161.604
flat angles C4'-P-C4' energy: -162.739
flat angles P-C4'-P energy: -121.036
tors. eta vs tors. theta energy: -194.256
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: 225
Temperature: 1.150000
Total energy: -2254.059258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.059258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.935753 (E_RNA)
where:
Base-Base interactions energy: -1548.829
where: short stacking energy: -660.822
Base-Backbone interact. energy: -1.402
local terms energy: -706.705185
where:
bonds (distance) C4'-P energy: -140.867
bonds (distance) P-C4' energy: -135.428
flat angles C4'-P-C4' energy: -150.034
flat angles P-C4'-P energy: -94.851
tors. eta vs tors. theta energy: -185.525
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: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2143.397135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.397135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.753293 (E_RNA)
where:
Base-Base interactions energy: -1457.560
where: short stacking energy: -599.762
Base-Backbone interact. energy: 5.571
local terms energy: -693.763920
where:
bonds (distance) C4'-P energy: -146.747
bonds (distance) P-C4' energy: -139.372
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -98.464
tors. eta vs tors. theta energy: -163.544
Dist. restrs. and SS energy: 2.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1992.199354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.199354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.818912 (E_RNA)
where:
Base-Base interactions energy: -1342.190
where: short stacking energy: -586.800
Base-Backbone interact. energy: -0.387
local terms energy: -652.242390
where:
bonds (distance) C4'-P energy: -128.796
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -155.757
flat angles P-C4'-P energy: -88.256
tors. eta vs tors. theta energy: -140.574
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: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1881.161695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.161695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.789027 (E_RNA)
where:
Base-Base interactions energy: -1280.946
where: short stacking energy: -530.673
Base-Backbone interact. energy: -2.646
local terms energy: -600.196880
where:
bonds (distance) C4'-P energy: -122.346
bonds (distance) P-C4' energy: -116.576
flat angles C4'-P-C4' energy: -131.039
flat angles P-C4'-P energy: -85.971
tors. eta vs tors. theta energy: -144.265
Dist. restrs. and SS energy: 2.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1877.194665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.194665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.527025 (E_RNA)
where:
Base-Base interactions energy: -1272.695
where: short stacking energy: -528.147
Base-Backbone interact. energy: 7.955
local terms energy: -616.787529
where:
bonds (distance) C4'-P energy: -117.375
bonds (distance) P-C4' energy: -134.488
flat angles C4'-P-C4' energy: -141.774
flat angles P-C4'-P energy: -88.003
tors. eta vs tors. theta energy: -135.147
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: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2983.250797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.250797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.616461 (E_RNA)
where:
Base-Base interactions energy: -2107.490
where: short stacking energy: -856.426
Base-Backbone interact. energy: 1.801
local terms energy: -879.927860
where:
bonds (distance) C4'-P energy: -155.503
bonds (distance) P-C4' energy: -161.026
flat angles C4'-P-C4' energy: -183.358
flat angles P-C4'-P energy: -134.093
tors. eta vs tors. theta energy: -245.948
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2758.145459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.145459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.154678 (E_RNA)
where:
Base-Base interactions energy: -1897.416
where: short stacking energy: -796.627
Base-Backbone interact. energy: -2.381
local terms energy: -859.357694
where:
bonds (distance) C4'-P energy: -165.817
bonds (distance) P-C4' energy: -171.181
flat angles C4'-P-C4' energy: -180.431
flat angles P-C4'-P energy: -118.735
tors. eta vs tors. theta energy: -223.194
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2690.294517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.294517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.410439 (E_RNA)
where:
Base-Base interactions energy: -1854.713
where: short stacking energy: -780.463
Base-Backbone interact. energy: -3.792
local terms energy: -832.904741
where:
bonds (distance) C4'-P energy: -152.543
bonds (distance) P-C4' energy: -147.734
flat angles C4'-P-C4' energy: -170.139
flat angles P-C4'-P energy: -124.626
tors. eta vs tors. theta energy: -237.862
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: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2556.291307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.291307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.285592 (E_RNA)
where:
Base-Base interactions energy: -1756.399
where: short stacking energy: -768.177
Base-Backbone interact. energy: -3.612
local terms energy: -798.274076
where:
bonds (distance) C4'-P energy: -148.242
bonds (distance) P-C4' energy: -152.673
flat angles C4'-P-C4' energy: -181.016
flat angles P-C4'-P energy: -97.223
tors. eta vs tors. theta energy: -219.120
Dist. restrs. and SS energy: 1.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2407.704720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.704720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.106810 (E_RNA)
where:
Base-Base interactions energy: -1656.024
where: short stacking energy: -725.428
Base-Backbone interact. energy: -1.468
local terms energy: -751.614991
where:
bonds (distance) C4'-P energy: -142.670
bonds (distance) P-C4' energy: -139.268
flat angles C4'-P-C4' energy: -151.357
flat angles P-C4'-P energy: -94.850
tors. eta vs tors. theta energy: -223.470
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: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2317.580046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.580046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.181639 (E_RNA)
where:
Base-Base interactions energy: -1590.085
where: short stacking energy: -683.126
Base-Backbone interact. energy: -2.880
local terms energy: -726.216250
where:
bonds (distance) C4'-P energy: -123.853
bonds (distance) P-C4' energy: -139.089
flat angles C4'-P-C4' energy: -162.618
flat angles P-C4'-P energy: -104.350
tors. eta vs tors. theta energy: -196.306
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2077.200105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.200105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.018547 (E_RNA)
where:
Base-Base interactions energy: -1390.378
where: short stacking energy: -599.948
Base-Backbone interact. energy: 5.756
local terms energy: -695.397094
where:
bonds (distance) C4'-P energy: -137.664
bonds (distance) P-C4' energy: -125.290
flat angles C4'-P-C4' energy: -182.096
flat angles P-C4'-P energy: -93.451
tors. eta vs tors. theta energy: -156.895
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: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2011.981276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.981276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.395870 (E_RNA)
where:
Base-Base interactions energy: -1348.914
where: short stacking energy: -554.961
Base-Backbone interact. energy: -1.264
local terms energy: -665.217629
where:
bonds (distance) C4'-P energy: -142.319
bonds (distance) P-C4' energy: -139.083
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -100.014
tors. eta vs tors. theta energy: -132.262
Dist. restrs. and SS energy: 3.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1923.467932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.467932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.731914 (E_RNA)
where:
Base-Base interactions energy: -1334.419
where: short stacking energy: -561.863
Base-Backbone interact. energy: 0.453
local terms energy: -591.766461
where:
bonds (distance) C4'-P energy: -116.685
bonds (distance) P-C4' energy: -113.198
flat angles C4'-P-C4' energy: -135.998
flat angles P-C4'-P energy: -85.919
tors. eta vs tors. theta energy: -139.967
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1847.872954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.872954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.584861 (E_RNA)
where:
Base-Base interactions energy: -1251.356
where: short stacking energy: -510.168
Base-Backbone interact. energy: 9.072
local terms energy: -610.300596
where:
bonds (distance) C4'-P energy: -148.797
bonds (distance) P-C4' energy: -121.912
flat angles C4'-P-C4' energy: -140.813
flat angles P-C4'-P energy: -64.966
tors. eta vs tors. theta energy: -133.813
Dist. restrs. and SS energy: 4.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2951.329390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.329390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.387224 (E_RNA)
where:
Base-Base interactions energy: -2088.382
where: short stacking energy: -854.596
Base-Backbone interact. energy: -7.234
local terms energy: -857.771535
where:
bonds (distance) C4'-P energy: -142.945
bonds (distance) P-C4' energy: -162.148
flat angles C4'-P-C4' energy: -189.475
flat angles P-C4'-P energy: -128.317
tors. eta vs tors. theta energy: -234.887
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2758.336422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.336422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.874162 (E_RNA)
where:
Base-Base interactions energy: -1931.655
where: short stacking energy: -792.031
Base-Backbone interact. energy: 2.005
local terms energy: -830.224579
where:
bonds (distance) C4'-P energy: -140.081
bonds (distance) P-C4' energy: -164.854
flat angles C4'-P-C4' energy: -177.494
flat angles P-C4'-P energy: -123.119
tors. eta vs tors. theta energy: -224.676
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: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2667.009150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.009150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.453562 (E_RNA)
where:
Base-Base interactions energy: -1827.409
where: short stacking energy: -789.564
Base-Backbone interact. energy: 0.891
local terms energy: -842.936151
where:
bonds (distance) C4'-P energy: -161.254
bonds (distance) P-C4' energy: -156.167
flat angles C4'-P-C4' energy: -176.457
flat angles P-C4'-P energy: -118.463
tors. eta vs tors. theta energy: -230.595
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2544.449676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.449676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.834331 (E_RNA)
where:
Base-Base interactions energy: -1743.474
where: short stacking energy: -739.991
Base-Backbone interact. energy: -2.195
local terms energy: -800.165143
where:
bonds (distance) C4'-P energy: -153.369
bonds (distance) P-C4' energy: -138.607
flat angles C4'-P-C4' energy: -177.845
flat angles P-C4'-P energy: -112.945
tors. eta vs tors. theta energy: -217.399
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2443.986898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.986898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.451461 (E_RNA)
where:
Base-Base interactions energy: -1653.425
where: short stacking energy: -711.504
Base-Backbone interact. energy: -3.934
local terms energy: -789.091982
where:
bonds (distance) C4'-P energy: -151.930
bonds (distance) P-C4' energy: -141.894
flat angles C4'-P-C4' energy: -162.528
flat angles P-C4'-P energy: -115.263
tors. eta vs tors. theta energy: -217.477
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2267.301813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.301813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.682918 (E_RNA)
where:
Base-Base interactions energy: -1536.665
where: short stacking energy: -678.066
Base-Backbone interact. energy: -0.832
local terms energy: -732.186128
where:
bonds (distance) C4'-P energy: -122.271
bonds (distance) P-C4' energy: -150.598
flat angles C4'-P-C4' energy: -153.455
flat angles P-C4'-P energy: -119.150
tors. eta vs tors. theta energy: -186.712
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: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2103.276360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.276360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.624956 (E_RNA)
where:
Base-Base interactions energy: -1430.031
where: short stacking energy: -589.448
Base-Backbone interact. energy: 5.101
local terms energy: -679.694191
where:
bonds (distance) C4'-P energy: -137.458
bonds (distance) P-C4' energy: -129.331
flat angles C4'-P-C4' energy: -158.074
flat angles P-C4'-P energy: -98.589
tors. eta vs tors. theta energy: -156.242
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: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1977.541479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.541479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.658168 (E_RNA)
where:
Base-Base interactions energy: -1322.101
where: short stacking energy: -556.624
Base-Backbone interact. energy: -3.510
local terms energy: -654.047059
where:
bonds (distance) C4'-P energy: -144.779
bonds (distance) P-C4' energy: -145.887
flat angles C4'-P-C4' energy: -151.443
flat angles P-C4'-P energy: -83.165
tors. eta vs tors. theta energy: -128.773
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: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1949.461745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.461745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.725400 (E_RNA)
where:
Base-Base interactions energy: -1360.452
where: short stacking energy: -576.641
Base-Backbone interact. energy: 2.212
local terms energy: -594.485949
where:
bonds (distance) C4'-P energy: -104.963
bonds (distance) P-C4' energy: -119.089
flat angles C4'-P-C4' energy: -127.861
flat angles P-C4'-P energy: -93.008
tors. eta vs tors. theta energy: -149.565
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: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1848.675091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.675091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.856502 (E_RNA)
where:
Base-Base interactions energy: -1234.439
where: short stacking energy: -520.838
Base-Backbone interact. energy: -1.597
local terms energy: -615.820590
where:
bonds (distance) C4'-P energy: -141.507
bonds (distance) P-C4' energy: -138.602
flat angles C4'-P-C4' energy: -119.843
flat angles P-C4'-P energy: -79.574
tors. eta vs tors. theta energy: -136.294
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: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2937.147233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.147233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.411139 (E_RNA)
where:
Base-Base interactions energy: -2075.157
where: short stacking energy: -868.286
Base-Backbone interact. energy: -5.328
local terms energy: -858.926468
where:
bonds (distance) C4'-P energy: -142.420
bonds (distance) P-C4' energy: -157.396
flat angles C4'-P-C4' energy: -187.456
flat angles P-C4'-P energy: -121.691
tors. eta vs tors. theta energy: -249.963
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2752.421703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.421703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.828129 (E_RNA)
where:
Base-Base interactions energy: -1872.584
where: short stacking energy: -791.223
Base-Backbone interact. energy: -3.255
local terms energy: -877.988793
where:
bonds (distance) C4'-P energy: -172.760
bonds (distance) P-C4' energy: -158.286
flat angles C4'-P-C4' energy: -187.471
flat angles P-C4'-P energy: -120.997
tors. eta vs tors. theta energy: -238.474
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2701.748726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.748726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.018427 (E_RNA)
where:
Base-Base interactions energy: -1860.947
where: short stacking energy: -788.599
Base-Backbone interact. energy: -3.918
local terms energy: -839.153828
where:
bonds (distance) C4'-P energy: -159.175
bonds (distance) P-C4' energy: -159.558
flat angles C4'-P-C4' energy: -180.038
flat angles P-C4'-P energy: -113.615
tors. eta vs tors. theta energy: -226.768
Dist. restrs. and SS energy: 2.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2570.019313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.019313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.505314 (E_RNA)
where:
Base-Base interactions energy: -1770.193
where: short stacking energy: -774.691
Base-Backbone interact. energy: -3.306
local terms energy: -799.006544
where:
bonds (distance) C4'-P energy: -138.702
bonds (distance) P-C4' energy: -140.898
flat angles C4'-P-C4' energy: -176.835
flat angles P-C4'-P energy: -109.029
tors. eta vs tors. theta energy: -233.542
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2387.968226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.968226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.254256 (E_RNA)
where:
Base-Base interactions energy: -1645.412
where: short stacking energy: -698.867
Base-Backbone interact. energy: -4.418
local terms energy: -739.424452
where:
bonds (distance) C4'-P energy: -119.761
bonds (distance) P-C4' energy: -139.579
flat angles C4'-P-C4' energy: -166.146
flat angles P-C4'-P energy: -118.914
tors. eta vs tors. theta energy: -195.025
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: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2262.105594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.105594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.418672 (E_RNA)
where:
Base-Base interactions energy: -1567.746
where: short stacking energy: -649.898
Base-Backbone interact. energy: -0.199
local terms energy: -695.474492
where:
bonds (distance) C4'-P energy: -126.743
bonds (distance) P-C4' energy: -137.173
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -94.962
tors. eta vs tors. theta energy: -185.415
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2044.057718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.057718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.065669 (E_RNA)
where:
Base-Base interactions energy: -1389.921
where: short stacking energy: -596.653
Base-Backbone interact. energy: 6.942
local terms energy: -663.087296
where:
bonds (distance) C4'-P energy: -139.593
bonds (distance) P-C4' energy: -141.043
flat angles C4'-P-C4' energy: -152.478
flat angles P-C4'-P energy: -78.148
tors. eta vs tors. theta energy: -151.825
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2023.530470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.530470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.438097 (E_RNA)
where:
Base-Base interactions energy: -1402.341
where: short stacking energy: -575.356
Base-Backbone interact. energy: 2.870
local terms energy: -626.966740
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -141.505
flat angles C4'-P-C4' energy: -131.709
flat angles P-C4'-P energy: -94.413
tors. eta vs tors. theta energy: -146.556
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: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1977.845284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.845284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.023631 (E_RNA)
where:
Base-Base interactions energy: -1372.331
where: short stacking energy: -587.864
Base-Backbone interact. energy: 0.363
local terms energy: -608.055562
where:
bonds (distance) C4'-P energy: -113.081
bonds (distance) P-C4' energy: -116.042
flat angles C4'-P-C4' energy: -127.256
flat angles P-C4'-P energy: -96.699
tors. eta vs tors. theta energy: -154.978
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1844.445243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.445243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.060335 (E_RNA)
where:
Base-Base interactions energy: -1247.101
where: short stacking energy: -510.743
Base-Backbone interact. energy: 2.178
local terms energy: -602.137024
where:
bonds (distance) C4'-P energy: -132.424
bonds (distance) P-C4' energy: -127.595
flat angles C4'-P-C4' energy: -142.373
flat angles P-C4'-P energy: -77.569
tors. eta vs tors. theta energy: -122.176
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2926.183405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.183405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.906813 (E_RNA)
where:
Base-Base interactions energy: -2032.071
where: short stacking energy: -850.622
Base-Backbone interact. energy: -0.050
local terms energy: -895.785404
where:
bonds (distance) C4'-P energy: -185.425
bonds (distance) P-C4' energy: -162.377
flat angles C4'-P-C4' energy: -169.296
flat angles P-C4'-P energy: -135.445
tors. eta vs tors. theta energy: -243.243
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2746.183310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.183310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.155019 (E_RNA)
where:
Base-Base interactions energy: -1914.184
where: short stacking energy: -802.028
Base-Backbone interact. energy: -4.872
local terms energy: -828.099249
where:
bonds (distance) C4'-P energy: -153.265
bonds (distance) P-C4' energy: -148.323
flat angles C4'-P-C4' energy: -187.267
flat angles P-C4'-P energy: -116.599
tors. eta vs tors. theta energy: -222.647
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: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2667.932690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.932690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.398230 (E_RNA)
where:
Base-Base interactions energy: -1838.368
where: short stacking energy: -804.677
Base-Backbone interact. energy: 0.099
local terms energy: -831.129004
where:
bonds (distance) C4'-P energy: -144.313
bonds (distance) P-C4' energy: -150.316
flat angles C4'-P-C4' energy: -187.562
flat angles P-C4'-P energy: -120.163
tors. eta vs tors. theta energy: -228.775
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: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2574.544964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.544964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.231350 (E_RNA)
where:
Base-Base interactions energy: -1763.913
where: short stacking energy: -757.494
Base-Backbone interact. energy: 1.573
local terms energy: -813.891514
where:
bonds (distance) C4'-P energy: -167.661
bonds (distance) P-C4' energy: -154.200
flat angles C4'-P-C4' energy: -165.426
flat angles P-C4'-P energy: -105.598
tors. eta vs tors. theta energy: -221.006
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: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2380.044464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.044464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.226103 (E_RNA)
where:
Base-Base interactions energy: -1628.567
where: short stacking energy: -708.850
Base-Backbone interact. energy: -5.413
local terms energy: -748.245206
where:
bonds (distance) C4'-P energy: -143.999
bonds (distance) P-C4' energy: -147.581
flat angles C4'-P-C4' energy: -165.903
flat angles P-C4'-P energy: -99.947
tors. eta vs tors. theta energy: -190.815
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2206.762392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.762392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.538101 (E_RNA)
where:
Base-Base interactions energy: -1465.691
where: short stacking energy: -637.060
Base-Backbone interact. energy: 4.973
local terms energy: -747.820136
where:
bonds (distance) C4'-P energy: -153.324
bonds (distance) P-C4' energy: -153.033
flat angles C4'-P-C4' energy: -172.994
flat angles P-C4'-P energy: -113.988
tors. eta vs tors. theta energy: -154.482
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: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2202.812714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.812714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.388916 (E_RNA)
where:
Base-Base interactions energy: -1519.832
where: short stacking energy: -656.467
Base-Backbone interact. energy: 9.842
local terms energy: -694.398712
where:
bonds (distance) C4'-P energy: -133.194
bonds (distance) P-C4' energy: -123.030
flat angles C4'-P-C4' energy: -167.445
flat angles P-C4'-P energy: -89.772
tors. eta vs tors. theta energy: -180.958
Dist. restrs. and SS energy: 1.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2007.081329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.081329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.514105 (E_RNA)
where:
Base-Base interactions energy: -1330.939
where: short stacking energy: -590.128
Base-Backbone interact. energy: 6.487
local terms energy: -685.062331
where:
bonds (distance) C4'-P energy: -128.857
bonds (distance) P-C4' energy: -139.237
flat angles C4'-P-C4' energy: -152.072
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -159.938
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: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1926.527686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.527686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.636765 (E_RNA)
where:
Base-Base interactions energy: -1317.777
where: short stacking energy: -573.090
Base-Backbone interact. energy: 2.608
local terms energy: -613.468287
where:
bonds (distance) C4'-P energy: -109.363
bonds (distance) P-C4' energy: -154.823
flat angles C4'-P-C4' energy: -121.518
flat angles P-C4'-P energy: -74.910
tors. eta vs tors. theta energy: -152.854
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: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1874.976616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.976616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.514382 (E_RNA)
where:
Base-Base interactions energy: -1265.440
where: short stacking energy: -523.752
Base-Backbone interact. energy: -3.925
local terms energy: -610.149402
where:
bonds (distance) C4'-P energy: -118.263
bonds (distance) P-C4' energy: -127.967
flat angles C4'-P-C4' energy: -151.395
flat angles P-C4'-P energy: -89.596
tors. eta vs tors. theta energy: -122.929
Dist. restrs. and SS energy: 4.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2944.941753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.941753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.231734 (E_RNA)
where:
Base-Base interactions energy: -2064.745
where: short stacking energy: -847.566
Base-Backbone interact. energy: -4.374
local terms energy: -879.112817
where:
bonds (distance) C4'-P energy: -159.248
bonds (distance) P-C4' energy: -162.849
flat angles C4'-P-C4' energy: -185.129
flat angles P-C4'-P energy: -129.687
tors. eta vs tors. theta energy: -242.200
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: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2741.570825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.570825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.766689 (E_RNA)
where:
Base-Base interactions energy: -1900.449
where: short stacking energy: -782.555
Base-Backbone interact. energy: -2.164
local terms energy: -841.153599
where:
bonds (distance) C4'-P energy: -164.516
bonds (distance) P-C4' energy: -152.632
flat angles C4'-P-C4' energy: -191.333
flat angles P-C4'-P energy: -110.864
tors. eta vs tors. theta energy: -221.809
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: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2675.617771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.617771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.800547 (E_RNA)
where:
Base-Base interactions energy: -1856.911
where: short stacking energy: -772.809
Base-Backbone interact. energy: 2.901
local terms energy: -822.789790
where:
bonds (distance) C4'-P energy: -156.382
bonds (distance) P-C4' energy: -141.097
flat angles C4'-P-C4' energy: -184.186
flat angles P-C4'-P energy: -121.841
tors. eta vs tors. theta energy: -219.284
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: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2555.397191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.397191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.513041 (E_RNA)
where:
Base-Base interactions energy: -1762.896
where: short stacking energy: -738.079
Base-Backbone interact. energy: -2.468
local terms energy: -791.148583
where:
bonds (distance) C4'-P energy: -143.475
bonds (distance) P-C4' energy: -148.395
flat angles C4'-P-C4' energy: -181.111
flat angles P-C4'-P energy: -109.766
tors. eta vs tors. theta energy: -208.400
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: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2416.981125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.981125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.954812 (E_RNA)
where:
Base-Base interactions energy: -1639.585
where: short stacking energy: -705.631
Base-Backbone interact. energy: 5.778
local terms energy: -786.147741
where:
bonds (distance) C4'-P energy: -147.065
bonds (distance) P-C4' energy: -166.190
flat angles C4'-P-C4' energy: -174.585
flat angles P-C4'-P energy: -107.364
tors. eta vs tors. theta energy: -190.943
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2196.617769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.617769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.684557 (E_RNA)
where:
Base-Base interactions energy: -1485.340
where: short stacking energy: -653.249
Base-Backbone interact. energy: -2.327
local terms energy: -711.018242
where:
bonds (distance) C4'-P energy: -128.198
bonds (distance) P-C4' energy: -143.126
flat angles C4'-P-C4' energy: -145.682
flat angles P-C4'-P energy: -109.960
tors. eta vs tors. theta energy: -184.053
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2219.510560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.510560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.725784 (E_RNA)
where:
Base-Base interactions energy: -1516.824
where: short stacking energy: -641.051
Base-Backbone interact. energy: 2.939
local terms energy: -707.841181
where:
bonds (distance) C4'-P energy: -135.888
bonds (distance) P-C4' energy: -142.982
flat angles C4'-P-C4' energy: -154.930
flat angles P-C4'-P energy: -102.288
tors. eta vs tors. theta energy: -171.754
Dist. restrs. and SS energy: 2.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1976.558898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.558898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.940190 (E_RNA)
where:
Base-Base interactions energy: -1324.712
where: short stacking energy: -571.559
Base-Backbone interact. energy: 6.727
local terms energy: -661.955212
where:
bonds (distance) C4'-P energy: -133.031
bonds (distance) P-C4' energy: -124.795
flat angles C4'-P-C4' energy: -149.376
flat angles P-C4'-P energy: -110.297
tors. eta vs tors. theta energy: -144.456
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1953.550569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.550569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.637520 (E_RNA)
where:
Base-Base interactions energy: -1292.150
where: short stacking energy: -541.638
Base-Backbone interact. energy: -1.312
local terms energy: -662.175826
where:
bonds (distance) C4'-P energy: -131.119
bonds (distance) P-C4' energy: -144.534
flat angles C4'-P-C4' energy: -160.400
flat angles P-C4'-P energy: -98.076
tors. eta vs tors. theta energy: -128.046
Dist. restrs. and SS energy: 2.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1856.048272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.048272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.198489 (E_RNA)
where:
Base-Base interactions energy: -1274.250
where: short stacking energy: -533.515
Base-Backbone interact. energy: 0.159
local terms energy: -588.107960
where:
bonds (distance) C4'-P energy: -115.656
bonds (distance) P-C4' energy: -123.048
flat angles C4'-P-C4' energy: -142.709
flat angles P-C4'-P energy: -69.470
tors. eta vs tors. theta energy: -137.224
Dist. restrs. and SS energy: 6.150 (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: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2978.653711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.653711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.217840 (E_RNA)
where:
Base-Base interactions energy: -2058.262
where: short stacking energy: -864.015
Base-Backbone interact. energy: -2.422
local terms energy: -920.534008
where:
bonds (distance) C4'-P energy: -168.100
bonds (distance) P-C4' energy: -180.195
flat angles C4'-P-C4' energy: -186.997
flat angles P-C4'-P energy: -133.904
tors. eta vs tors. theta energy: -251.338
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: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2720.660877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.660877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.503161 (E_RNA)
where:
Base-Base interactions energy: -1882.657
where: short stacking energy: -806.732
Base-Backbone interact. energy: -3.543
local terms energy: -835.303085
where:
bonds (distance) C4'-P energy: -151.871
bonds (distance) P-C4' energy: -156.693
flat angles C4'-P-C4' energy: -185.979
flat angles P-C4'-P energy: -113.599
tors. eta vs tors. theta energy: -227.161
Dist. restrs. and SS energy: 0.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2683.868374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.868374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.084434 (E_RNA)
where:
Base-Base interactions energy: -1853.792
where: short stacking energy: -743.374
Base-Backbone interact. energy: -1.529
local terms energy: -830.763423
where:
bonds (distance) C4'-P energy: -150.062
bonds (distance) P-C4' energy: -167.074
flat angles C4'-P-C4' energy: -180.175
flat angles P-C4'-P energy: -116.820
tors. eta vs tors. theta energy: -216.633
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: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2528.974814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.974814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.652386 (E_RNA)
where:
Base-Base interactions energy: -1734.030
where: short stacking energy: -715.254
Base-Backbone interact. energy: -1.745
local terms energy: -794.877467
where:
bonds (distance) C4'-P energy: -144.974
bonds (distance) P-C4' energy: -143.261
flat angles C4'-P-C4' energy: -166.944
flat angles P-C4'-P energy: -120.081
tors. eta vs tors. theta energy: -219.618
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: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2394.781396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.781396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.696143 (E_RNA)
where:
Base-Base interactions energy: -1633.782
where: short stacking energy: -708.192
Base-Backbone interact. energy: 1.979
local terms energy: -764.893767
where:
bonds (distance) C4'-P energy: -136.779
bonds (distance) P-C4' energy: -146.336
flat angles C4'-P-C4' energy: -168.838
flat angles P-C4'-P energy: -109.480
tors. eta vs tors. theta energy: -203.460
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2187.287325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.287325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.980144 (E_RNA)
where:
Base-Base interactions energy: -1457.092
where: short stacking energy: -619.104
Base-Backbone interact. energy: 1.486
local terms energy: -734.374018
where:
bonds (distance) C4'-P energy: -153.057
bonds (distance) P-C4' energy: -145.536
flat angles C4'-P-C4' energy: -168.654
flat angles P-C4'-P energy: -96.313
tors. eta vs tors. theta energy: -170.814
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2164.878265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.878265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.986999 (E_RNA)
where:
Base-Base interactions energy: -1497.396
where: short stacking energy: -642.587
Base-Backbone interact. energy: 8.927
local terms energy: -680.517485
where:
bonds (distance) C4'-P energy: -125.310
bonds (distance) P-C4' energy: -129.924
flat angles C4'-P-C4' energy: -162.160
flat angles P-C4'-P energy: -93.990
tors. eta vs tors. theta energy: -169.133
Dist. restrs. and SS energy: 4.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1996.750301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.750301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.578142 (E_RNA)
where:
Base-Base interactions energy: -1363.528
where: short stacking energy: -551.545
Base-Backbone interact. energy: -1.866
local terms energy: -633.183425
where:
bonds (distance) C4'-P energy: -140.333
bonds (distance) P-C4' energy: -126.904
flat angles C4'-P-C4' energy: -138.074
flat angles P-C4'-P energy: -92.663
tors. eta vs tors. theta energy: -135.210
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1927.052161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.052161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.680343 (E_RNA)
where:
Base-Base interactions energy: -1285.910
where: short stacking energy: -545.858
Base-Backbone interact. energy: 4.577
local terms energy: -648.346710
where:
bonds (distance) C4'-P energy: -137.773
bonds (distance) P-C4' energy: -135.288
flat angles C4'-P-C4' energy: -155.057
flat angles P-C4'-P energy: -89.255
tors. eta vs tors. theta energy: -130.973
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: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1873.977974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.977974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.914801 (E_RNA)
where:
Base-Base interactions energy: -1290.355
where: short stacking energy: -543.016
Base-Backbone interact. energy: -1.597
local terms energy: -584.962700
where:
bonds (distance) C4'-P energy: -108.929
bonds (distance) P-C4' energy: -127.992
flat angles C4'-P-C4' energy: -133.225
flat angles P-C4'-P energy: -76.023
tors. eta vs tors. theta energy: -138.793
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: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2961.545768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.545768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2964.131965 (E_RNA)
where:
Base-Base interactions energy: -2059.811
where: short stacking energy: -870.013
Base-Backbone interact. energy: -5.236
local terms energy: -899.085012
where:
bonds (distance) C4'-P energy: -177.576
bonds (distance) P-C4' energy: -169.571
flat angles C4'-P-C4' energy: -179.536
flat angles P-C4'-P energy: -121.852
tors. eta vs tors. theta energy: -250.551
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2747.078119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.078119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.463931 (E_RNA)
where:
Base-Base interactions energy: -1897.527
where: short stacking energy: -817.252
Base-Backbone interact. energy: -3.141
local terms energy: -848.796206
where:
bonds (distance) C4'-P energy: -154.553
bonds (distance) P-C4' energy: -156.842
flat angles C4'-P-C4' energy: -177.748
flat angles P-C4'-P energy: -125.847
tors. eta vs tors. theta energy: -233.806
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2698.330503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.330503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.619707 (E_RNA)
where:
Base-Base interactions energy: -1878.367
where: short stacking energy: -748.450
Base-Backbone interact. energy: -1.097
local terms energy: -820.156195
where:
bonds (distance) C4'-P energy: -149.298
bonds (distance) P-C4' energy: -152.587
flat angles C4'-P-C4' energy: -174.069
flat angles P-C4'-P energy: -117.262
tors. eta vs tors. theta energy: -226.941
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: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2544.863230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.863230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.692144 (E_RNA)
where:
Base-Base interactions energy: -1772.026
where: short stacking energy: -766.019
Base-Backbone interact. energy: -1.399
local terms energy: -775.267098
where:
bonds (distance) C4'-P energy: -132.920
bonds (distance) P-C4' energy: -148.347
flat angles C4'-P-C4' energy: -164.004
flat angles P-C4'-P energy: -106.322
tors. eta vs tors. theta energy: -223.675
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: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2384.003384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.003384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.681467 (E_RNA)
where:
Base-Base interactions energy: -1631.207
where: short stacking energy: -688.574
Base-Backbone interact. energy: -1.154
local terms energy: -753.320765
where:
bonds (distance) C4'-P energy: -149.444
bonds (distance) P-C4' energy: -158.567
flat angles C4'-P-C4' energy: -158.083
flat angles P-C4'-P energy: -96.770
tors. eta vs tors. theta energy: -190.458
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2198.240072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.240072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.083776 (E_RNA)
where:
Base-Base interactions energy: -1498.869
where: short stacking energy: -646.555
Base-Backbone interact. energy: -2.662
local terms energy: -699.553030
where:
bonds (distance) C4'-P energy: -129.995
bonds (distance) P-C4' energy: -143.100
flat angles C4'-P-C4' energy: -156.621
flat angles P-C4'-P energy: -93.797
tors. eta vs tors. theta energy: -176.040
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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2187.985358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.985358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.721582 (E_RNA)
where:
Base-Base interactions energy: -1494.707
where: short stacking energy: -621.627
Base-Backbone interact. energy: -0.466
local terms energy: -695.548373
where:
bonds (distance) C4'-P energy: -145.332
bonds (distance) P-C4' energy: -124.798
flat angles C4'-P-C4' energy: -149.017
flat angles P-C4'-P energy: -100.225
tors. eta vs tors. theta energy: -176.177
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2033.810301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.810301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.533394 (E_RNA)
where:
Base-Base interactions energy: -1365.192
where: short stacking energy: -577.327
Base-Backbone interact. energy: 5.557
local terms energy: -676.898552
where:
bonds (distance) C4'-P energy: -132.573
bonds (distance) P-C4' energy: -145.841
flat angles C4'-P-C4' energy: -153.292
flat angles P-C4'-P energy: -95.234
tors. eta vs tors. theta energy: -149.958
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: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1904.307517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.307517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.671179 (E_RNA)
where:
Base-Base interactions energy: -1266.964
where: short stacking energy: -533.950
Base-Backbone interact. energy: -0.753
local terms energy: -646.954822
where:
bonds (distance) C4'-P energy: -122.214
bonds (distance) P-C4' energy: -138.160
flat angles C4'-P-C4' energy: -153.876
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -138.308
Dist. restrs. and SS energy: 10.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1862.390813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.390813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.738291 (E_RNA)
where:
Base-Base interactions energy: -1279.556
where: short stacking energy: -532.846
Base-Backbone interact. energy: -0.312
local terms energy: -584.869773
where:
bonds (distance) C4'-P energy: -119.236
bonds (distance) P-C4' energy: -138.414
flat angles C4'-P-C4' energy: -117.186
flat angles P-C4'-P energy: -75.790
tors. eta vs tors. theta energy: -134.243
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: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2949.135319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.135319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.288856 (E_RNA)
where:
Base-Base interactions energy: -2045.340
where: short stacking energy: -861.572
Base-Backbone interact. energy: -5.347
local terms energy: -900.601471
where:
bonds (distance) C4'-P energy: -172.241
bonds (distance) P-C4' energy: -155.358
flat angles C4'-P-C4' energy: -181.697
flat angles P-C4'-P energy: -139.198
tors. eta vs tors. theta energy: -252.108
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2758.639500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.639500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.394677 (E_RNA)
where:
Base-Base interactions energy: -1908.806
where: short stacking energy: -765.828
Base-Backbone interact. energy: -6.099
local terms energy: -845.489652
where:
bonds (distance) C4'-P energy: -171.177
bonds (distance) P-C4' energy: -164.294
flat angles C4'-P-C4' energy: -181.840
flat angles P-C4'-P energy: -110.767
tors. eta vs tors. theta energy: -217.411
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: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2652.306686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.306686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.439715 (E_RNA)
where:
Base-Base interactions energy: -1817.852
where: short stacking energy: -769.393
Base-Backbone interact. energy: 3.736
local terms energy: -840.323338
where:
bonds (distance) C4'-P energy: -160.080
bonds (distance) P-C4' energy: -160.575
flat angles C4'-P-C4' energy: -166.816
flat angles P-C4'-P energy: -129.074
tors. eta vs tors. theta energy: -223.778
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: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2496.530395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.530395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.539201 (E_RNA)
where:
Base-Base interactions energy: -1709.920
where: short stacking energy: -736.252
Base-Backbone interact. energy: -1.750
local terms energy: -785.869790
where:
bonds (distance) C4'-P energy: -140.102
bonds (distance) P-C4' energy: -159.586
flat angles C4'-P-C4' energy: -177.949
flat angles P-C4'-P energy: -93.640
tors. eta vs tors. theta energy: -214.593
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2361.329157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.329157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.369625 (E_RNA)
where:
Base-Base interactions energy: -1613.097
where: short stacking energy: -670.740
Base-Backbone interact. energy: -5.362
local terms energy: -744.911406
where:
bonds (distance) C4'-P energy: -130.932
bonds (distance) P-C4' energy: -152.892
flat angles C4'-P-C4' energy: -164.794
flat angles P-C4'-P energy: -93.600
tors. eta vs tors. theta energy: -202.693
Dist. restrs. and SS energy: 2.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2280.629525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.629525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.556638 (E_RNA)
where:
Base-Base interactions energy: -1533.159
where: short stacking energy: -655.021
Base-Backbone interact. energy: -3.025
local terms energy: -746.372543
where:
bonds (distance) C4'-P energy: -148.788
bonds (distance) P-C4' energy: -146.492
flat angles C4'-P-C4' energy: -170.581
flat angles P-C4'-P energy: -92.215
tors. eta vs tors. theta energy: -188.298
Dist. restrs. and SS energy: 1.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2106.980473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.980473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.225292 (E_RNA)
where:
Base-Base interactions energy: -1415.800
where: short stacking energy: -592.062
Base-Backbone interact. energy: -2.904
local terms energy: -690.521561
where:
bonds (distance) C4'-P energy: -130.009
bonds (distance) P-C4' energy: -134.511
flat angles C4'-P-C4' energy: -161.208
flat angles P-C4'-P energy: -103.031
tors. eta vs tors. theta energy: -161.763
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: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2040.118053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.118053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.043243 (E_RNA)
where:
Base-Base interactions energy: -1378.789
where: short stacking energy: -620.823
Base-Backbone interact. energy: 0.898
local terms energy: -665.152350
where:
bonds (distance) C4'-P energy: -120.742
bonds (distance) P-C4' energy: -141.089
flat angles C4'-P-C4' energy: -155.138
flat angles P-C4'-P energy: -84.679
tors. eta vs tors. theta energy: -163.504
Dist. restrs. and SS energy: 2.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1954.135642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.135642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.985582 (E_RNA)
where:
Base-Base interactions energy: -1333.065
where: short stacking energy: -578.453
Base-Backbone interact. energy: -2.427
local terms energy: -620.493667
where:
bonds (distance) C4'-P energy: -129.598
bonds (distance) P-C4' energy: -123.368
flat angles C4'-P-C4' energy: -128.901
flat angles P-C4'-P energy: -97.069
tors. eta vs tors. theta energy: -141.557
Dist. restrs. and SS energy: 1.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1911.245996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.245996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.664998 (E_RNA)
where:
Base-Base interactions energy: -1307.806
where: short stacking energy: -550.268
Base-Backbone interact. energy: 2.013
local terms energy: -607.871574
where:
bonds (distance) C4'-P energy: -120.137
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -127.890
flat angles P-C4'-P energy: -87.816
tors. eta vs tors. theta energy: -132.051
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: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2927.852929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.852929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.124205 (E_RNA)
where:
Base-Base interactions energy: -2070.929
where: short stacking energy: -842.473
Base-Backbone interact. energy: 4.907
local terms energy: -864.103045
where:
bonds (distance) C4'-P energy: -158.088
bonds (distance) P-C4' energy: -165.812
flat angles C4'-P-C4' energy: -184.584
flat angles P-C4'-P energy: -113.849
tors. eta vs tors. theta energy: -241.771
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2721.813727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.813727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.842041 (E_RNA)
where:
Base-Base interactions energy: -1890.497
where: short stacking energy: -790.687
Base-Backbone interact. energy: -2.709
local terms energy: -829.636033
where:
bonds (distance) C4'-P energy: -159.458
bonds (distance) P-C4' energy: -154.203
flat angles C4'-P-C4' energy: -178.219
flat angles P-C4'-P energy: -115.995
tors. eta vs tors. theta energy: -221.760
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2626.194195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.194195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.082782 (E_RNA)
where:
Base-Base interactions energy: -1812.357
where: short stacking energy: -757.901
Base-Backbone interact. energy: 5.243
local terms energy: -820.968814
where:
bonds (distance) C4'-P energy: -151.803
bonds (distance) P-C4' energy: -161.294
flat angles C4'-P-C4' energy: -177.104
flat angles P-C4'-P energy: -114.367
tors. eta vs tors. theta energy: -216.400
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2514.080456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.080456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.098816 (E_RNA)
where:
Base-Base interactions energy: -1702.652
where: short stacking energy: -738.101
Base-Backbone interact. energy: -1.263
local terms energy: -812.183012
where:
bonds (distance) C4'-P energy: -139.833
bonds (distance) P-C4' energy: -165.770
flat angles C4'-P-C4' energy: -172.920
flat angles P-C4'-P energy: -110.629
tors. eta vs tors. theta energy: -223.031
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2411.133686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.133686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.750585 (E_RNA)
where:
Base-Base interactions energy: -1671.646
where: short stacking energy: -699.840
Base-Backbone interact. energy: -0.401
local terms energy: -739.704164
where:
bonds (distance) C4'-P energy: -132.705
bonds (distance) P-C4' energy: -134.642
flat angles C4'-P-C4' energy: -161.636
flat angles P-C4'-P energy: -121.152
tors. eta vs tors. theta energy: -189.570
Dist. restrs. and SS energy: 0.617 (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: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2232.628749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.628749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.174009 (E_RNA)
where:
Base-Base interactions energy: -1512.777
where: short stacking energy: -666.029
Base-Backbone interact. energy: 0.206
local terms energy: -722.603123
where:
bonds (distance) C4'-P energy: -142.645
bonds (distance) P-C4' energy: -140.024
flat angles C4'-P-C4' energy: -148.676
flat angles P-C4'-P energy: -108.122
tors. eta vs tors. theta energy: -183.136
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2083.911377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.911377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.279073 (E_RNA)
where:
Base-Base interactions energy: -1393.090
where: short stacking energy: -603.618
Base-Backbone interact. energy: 0.845
local terms energy: -695.033932
where:
bonds (distance) C4'-P energy: -122.541
bonds (distance) P-C4' energy: -144.623
flat angles C4'-P-C4' energy: -155.091
flat angles P-C4'-P energy: -96.561
tors. eta vs tors. theta energy: -176.218
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: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2038.321120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.321120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.139445 (E_RNA)
where:
Base-Base interactions energy: -1366.013
where: short stacking energy: -567.274
Base-Backbone interact. energy: -0.039
local terms energy: -674.087102
where:
bonds (distance) C4'-P energy: -128.012
bonds (distance) P-C4' energy: -145.254
flat angles C4'-P-C4' energy: -152.080
flat angles P-C4'-P energy: -95.098
tors. eta vs tors. theta energy: -153.644
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1956.186545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.186545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.268614 (E_RNA)
where:
Base-Base interactions energy: -1315.135
where: short stacking energy: -579.778
Base-Backbone interact. energy: -0.859
local terms energy: -643.275175
where:
bonds (distance) C4'-P energy: -123.213
bonds (distance) P-C4' energy: -129.515
flat angles C4'-P-C4' energy: -135.845
flat angles P-C4'-P energy: -107.152
tors. eta vs tors. theta energy: -147.550
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: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1882.332625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.332625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.511963 (E_RNA)
where:
Base-Base interactions energy: -1251.352
where: short stacking energy: -532.414
Base-Backbone interact. energy: 1.162
local terms energy: -639.321859
where:
bonds (distance) C4'-P energy: -124.646
bonds (distance) P-C4' energy: -145.109
flat angles C4'-P-C4' energy: -140.966
flat angles P-C4'-P energy: -77.855
tors. eta vs tors. theta energy: -150.747
Dist. restrs. and SS energy: 7.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2948.474509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.474509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.744912 (E_RNA)
where:
Base-Base interactions energy: -2088.969
where: short stacking energy: -854.334
Base-Backbone interact. energy: -2.283
local terms energy: -859.492901
where:
bonds (distance) C4'-P energy: -157.621
bonds (distance) P-C4' energy: -155.433
flat angles C4'-P-C4' energy: -181.250
flat angles P-C4'-P energy: -121.667
tors. eta vs tors. theta energy: -243.521
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: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2738.429634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.429634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.526501 (E_RNA)
where:
Base-Base interactions energy: -1925.844
where: short stacking energy: -793.846
Base-Backbone interact. energy: -2.136
local terms energy: -811.546323
where:
bonds (distance) C4'-P energy: -158.523
bonds (distance) P-C4' energy: -150.979
flat angles C4'-P-C4' energy: -164.269
flat angles P-C4'-P energy: -133.310
tors. eta vs tors. theta energy: -204.465
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: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2608.531473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.531473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.825049 (E_RNA)
where:
Base-Base interactions energy: -1809.760
where: short stacking energy: -749.269
Base-Backbone interact. energy: 0.173
local terms energy: -800.238598
where:
bonds (distance) C4'-P energy: -158.779
bonds (distance) P-C4' energy: -136.723
flat angles C4'-P-C4' energy: -170.845
flat angles P-C4'-P energy: -119.792
tors. eta vs tors. theta energy: -214.099
Dist. restrs. and SS energy: 1.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2554.086263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.086263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.613130 (E_RNA)
where:
Base-Base interactions energy: -1749.909
where: short stacking energy: -762.794
Base-Backbone interact. energy: -3.533
local terms energy: -803.171675
where:
bonds (distance) C4'-P energy: -145.200
bonds (distance) P-C4' energy: -144.225
flat angles C4'-P-C4' energy: -180.745
flat angles P-C4'-P energy: -109.792
tors. eta vs tors. theta energy: -223.211
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: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2423.797069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.797069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.580402 (E_RNA)
where:
Base-Base interactions energy: -1667.123
where: short stacking energy: -719.290
Base-Backbone interact. energy: -3.573
local terms energy: -754.884619
where:
bonds (distance) C4'-P energy: -131.052
bonds (distance) P-C4' energy: -146.900
flat angles C4'-P-C4' energy: -174.589
flat angles P-C4'-P energy: -111.089
tors. eta vs tors. theta energy: -191.255
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: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2289.771099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.771099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.737086 (E_RNA)
where:
Base-Base interactions energy: -1562.239
where: short stacking energy: -672.524
Base-Backbone interact. energy: -2.294
local terms energy: -727.204657
where:
bonds (distance) C4'-P energy: -143.651
bonds (distance) P-C4' energy: -136.594
flat angles C4'-P-C4' energy: -153.901
flat angles P-C4'-P energy: -112.421
tors. eta vs tors. theta energy: -180.637
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: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2105.487541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.487541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.501483 (E_RNA)
where:
Base-Base interactions energy: -1439.051
where: short stacking energy: -624.063
Base-Backbone interact. energy: 0.679
local terms energy: -669.129255
where:
bonds (distance) C4'-P energy: -134.785
bonds (distance) P-C4' energy: -131.382
flat angles C4'-P-C4' energy: -167.869
flat angles P-C4'-P energy: -77.678
tors. eta vs tors. theta energy: -157.416
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: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2046.274540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.274540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.538242 (E_RNA)
where:
Base-Base interactions energy: -1402.648
where: short stacking energy: -595.383
Base-Backbone interact. energy: 0.615
local terms energy: -647.505113
where:
bonds (distance) C4'-P energy: -110.294
bonds (distance) P-C4' energy: -146.817
flat angles C4'-P-C4' energy: -142.699
flat angles P-C4'-P energy: -88.737
tors. eta vs tors. theta energy: -158.958
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: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1997.288714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.288714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.026378 (E_RNA)
where:
Base-Base interactions energy: -1352.743
where: short stacking energy: -563.884
Base-Backbone interact. energy: -1.440
local terms energy: -644.842799
where:
bonds (distance) C4'-P energy: -129.417
bonds (distance) P-C4' energy: -138.829
flat angles C4'-P-C4' energy: -142.418
flat angles P-C4'-P energy: -83.630
tors. eta vs tors. theta energy: -150.548
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: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1856.850873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.850873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.009224 (E_RNA)
where:
Base-Base interactions energy: -1240.867
where: short stacking energy: -487.959
Base-Backbone interact. energy: 9.168
local terms energy: -628.310185
where:
bonds (distance) C4'-P energy: -124.526
bonds (distance) P-C4' energy: -132.645
flat angles C4'-P-C4' energy: -150.573
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -134.206
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: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2915.038819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.038819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.909637 (E_RNA)
where:
Base-Base interactions energy: -2024.135
where: short stacking energy: -837.528
Base-Backbone interact. energy: 1.687
local terms energy: -894.462288
where:
bonds (distance) C4'-P energy: -178.347
bonds (distance) P-C4' energy: -172.516
flat angles C4'-P-C4' energy: -184.923
flat angles P-C4'-P energy: -121.068
tors. eta vs tors. theta energy: -237.608
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2767.967981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.967981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.300629 (E_RNA)
where:
Base-Base interactions energy: -1900.541
where: short stacking energy: -791.616
Base-Backbone interact. energy: 4.821
local terms energy: -873.581489
where:
bonds (distance) C4'-P energy: -165.240
bonds (distance) P-C4' energy: -157.401
flat angles C4'-P-C4' energy: -191.729
flat angles P-C4'-P energy: -138.347
tors. eta vs tors. theta energy: -220.865
Dist. restrs. and SS energy: 1.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2641.064716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.064716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.939065 (E_RNA)
where:
Base-Base interactions energy: -1818.777
where: short stacking energy: -756.586
Base-Backbone interact. energy: 2.953
local terms energy: -826.114613
where:
bonds (distance) C4'-P energy: -143.564
bonds (distance) P-C4' energy: -148.327
flat angles C4'-P-C4' energy: -181.967
flat angles P-C4'-P energy: -126.184
tors. eta vs tors. theta energy: -226.072
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2543.523479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.523479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.064813 (E_RNA)
where:
Base-Base interactions energy: -1726.778
where: short stacking energy: -749.877
Base-Backbone interact. energy: 0.414
local terms energy: -818.700624
where:
bonds (distance) C4'-P energy: -162.811
bonds (distance) P-C4' energy: -155.294
flat angles C4'-P-C4' energy: -166.116
flat angles P-C4'-P energy: -106.008
tors. eta vs tors. theta energy: -228.472
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2460.519771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.519771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.159305 (E_RNA)
where:
Base-Base interactions energy: -1708.807
where: short stacking energy: -729.226
Base-Backbone interact. energy: 3.668
local terms energy: -758.019559
where:
bonds (distance) C4'-P energy: -133.020
bonds (distance) P-C4' energy: -153.461
flat angles C4'-P-C4' energy: -169.520
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -206.462
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2282.570751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.570751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.551229 (E_RNA)
where:
Base-Base interactions energy: -1548.662
where: short stacking energy: -670.082
Base-Backbone interact. energy: 0.984
local terms energy: -737.873874
where:
bonds (distance) C4'-P energy: -136.988
bonds (distance) P-C4' energy: -138.704
flat angles C4'-P-C4' energy: -159.236
flat angles P-C4'-P energy: -118.582
tors. eta vs tors. theta energy: -184.364
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: 236
Temperature: 1.200000
Total energy: -2098.736799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.736799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.867636 (E_RNA)
where:
Base-Base interactions energy: -1416.658
where: short stacking energy: -613.289
Base-Backbone interact. energy: -1.980
local terms energy: -683.230430
where:
bonds (distance) C4'-P energy: -129.646
bonds (distance) P-C4' energy: -122.087
flat angles C4'-P-C4' energy: -162.149
flat angles P-C4'-P energy: -93.223
tors. eta vs tors. theta energy: -176.126
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2025.167430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.167430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.832592 (E_RNA)
where:
Base-Base interactions energy: -1385.575
where: short stacking energy: -594.503
Base-Backbone interact. energy: -1.142
local terms energy: -641.114941
where:
bonds (distance) C4'-P energy: -122.654
bonds (distance) P-C4' energy: -130.989
flat angles C4'-P-C4' energy: -146.210
flat angles P-C4'-P energy: -84.889
tors. eta vs tors. theta energy: -156.372
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1906.935526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.935526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.952468 (E_RNA)
where:
Base-Base interactions energy: -1306.629
where: short stacking energy: -557.512
Base-Backbone interact. energy: -1.617
local terms energy: -610.706917
where:
bonds (distance) C4'-P energy: -127.775
bonds (distance) P-C4' energy: -118.728
flat angles C4'-P-C4' energy: -152.886
flat angles P-C4'-P energy: -82.027
tors. eta vs tors. theta energy: -129.291
Dist. restrs. and SS energy: 12.017 (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: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1835.679138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.679138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.674247 (E_RNA)
where:
Base-Base interactions energy: -1244.221
where: short stacking energy: -485.117
Base-Backbone interact. energy: 1.135
local terms energy: -597.588460
where:
bonds (distance) C4'-P energy: -126.004
bonds (distance) P-C4' energy: -122.041
flat angles C4'-P-C4' energy: -140.764
flat angles P-C4'-P energy: -89.248
tors. eta vs tors. theta energy: -119.531
Dist. restrs. and SS energy: 4.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2953.354257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.354257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.370172 (E_RNA)
where:
Base-Base interactions energy: -2063.627
where: short stacking energy: -843.864
Base-Backbone interact. energy: -4.047
local terms energy: -888.695710
where:
bonds (distance) C4'-P energy: -152.547
bonds (distance) P-C4' energy: -160.798
flat angles C4'-P-C4' energy: -179.919
flat angles P-C4'-P energy: -144.290
tors. eta vs tors. theta energy: -251.141
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: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2730.541310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.541310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.711575 (E_RNA)
where:
Base-Base interactions energy: -1899.261
where: short stacking energy: -783.082
Base-Backbone interact. energy: -5.244
local terms energy: -827.206376
where:
bonds (distance) C4'-P energy: -153.416
bonds (distance) P-C4' energy: -163.136
flat angles C4'-P-C4' energy: -173.623
flat angles P-C4'-P energy: -114.101
tors. eta vs tors. theta energy: -222.931
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2690.644520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.644520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.426187 (E_RNA)
where:
Base-Base interactions energy: -1836.127
where: short stacking energy: -773.350
Base-Backbone interact. energy: 8.555
local terms energy: -864.853286
where:
bonds (distance) C4'-P energy: -157.997
bonds (distance) P-C4' energy: -171.059
flat angles C4'-P-C4' energy: -181.228
flat angles P-C4'-P energy: -128.201
tors. eta vs tors. theta energy: -226.368
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: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2595.172721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.172721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.872968 (E_RNA)
where:
Base-Base interactions energy: -1797.612
where: short stacking energy: -763.090
Base-Backbone interact. energy: -1.723
local terms energy: -797.538385
where:
bonds (distance) C4'-P energy: -158.271
bonds (distance) P-C4' energy: -141.521
flat angles C4'-P-C4' energy: -163.705
flat angles P-C4'-P energy: -112.095
tors. eta vs tors. theta energy: -221.946
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: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2444.197935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.197935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.886030 (E_RNA)
where:
Base-Base interactions energy: -1649.621
where: short stacking energy: -673.817
Base-Backbone interact. energy: -1.060
local terms energy: -796.204637
where:
bonds (distance) C4'-P energy: -130.662
bonds (distance) P-C4' energy: -168.178
flat angles C4'-P-C4' energy: -181.649
flat angles P-C4'-P energy: -116.963
tors. eta vs tors. theta energy: -198.752
Dist. restrs. and SS energy: 2.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2269.037339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.037339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.112842 (E_RNA)
where:
Base-Base interactions energy: -1552.049
where: short stacking energy: -638.985
Base-Backbone interact. energy: 0.464
local terms energy: -721.528048
where:
bonds (distance) C4'-P energy: -133.549
bonds (distance) P-C4' energy: -146.790
flat angles C4'-P-C4' energy: -167.022
flat angles P-C4'-P energy: -108.707
tors. eta vs tors. theta energy: -165.460
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: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2115.881170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.881170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.075036 (E_RNA)
where:
Base-Base interactions energy: -1420.346
where: short stacking energy: -624.038
Base-Backbone interact. energy: 0.991
local terms energy: -698.720379
where:
bonds (distance) C4'-P energy: -135.458
bonds (distance) P-C4' energy: -137.885
flat angles C4'-P-C4' energy: -160.099
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -170.826
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1991.440807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.440807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.101065 (E_RNA)
where:
Base-Base interactions energy: -1335.860
where: short stacking energy: -558.593
Base-Backbone interact. energy: 7.528
local terms energy: -665.768976
where:
bonds (distance) C4'-P energy: -135.788
bonds (distance) P-C4' energy: -143.181
flat angles C4'-P-C4' energy: -143.530
flat angles P-C4'-P energy: -93.535
tors. eta vs tors. theta energy: -149.735
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: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1924.658013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.658013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.643527 (E_RNA)
where:
Base-Base interactions energy: -1329.443
where: short stacking energy: -550.235
Base-Backbone interact. energy: 8.608
local terms energy: -606.808464
where:
bonds (distance) C4'-P energy: -117.040
bonds (distance) P-C4' energy: -137.696
flat angles C4'-P-C4' energy: -142.720
flat angles P-C4'-P energy: -87.956
tors. eta vs tors. theta energy: -121.395
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: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1855.375124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.375124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.754632 (E_RNA)
where:
Base-Base interactions energy: -1242.630
where: short stacking energy: -518.026
Base-Backbone interact. energy: 1.094
local terms energy: -618.218362
where:
bonds (distance) C4'-P energy: -120.286
bonds (distance) P-C4' energy: -146.564
flat angles C4'-P-C4' energy: -132.972
flat angles P-C4'-P energy: -97.446
tors. eta vs tors. theta energy: -120.950
Dist. restrs. and SS energy: 4.380 (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: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2960.677367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.677367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.419442 (E_RNA)
where:
Base-Base interactions energy: -2094.151
where: short stacking energy: -873.317
Base-Backbone interact. energy: -5.032
local terms energy: -864.236550
where:
bonds (distance) C4'-P energy: -161.886
bonds (distance) P-C4' energy: -160.796
flat angles C4'-P-C4' energy: -183.302
flat angles P-C4'-P energy: -112.704
tors. eta vs tors. theta energy: -245.549
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: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2765.361098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.361098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.290506 (E_RNA)
where:
Base-Base interactions energy: -1917.554
where: short stacking energy: -809.101
Base-Backbone interact. energy: -2.118
local terms energy: -847.618112
where:
bonds (distance) C4'-P energy: -153.876
bonds (distance) P-C4' energy: -160.980
flat angles C4'-P-C4' energy: -180.938
flat angles P-C4'-P energy: -111.782
tors. eta vs tors. theta energy: -240.042
Dist. restrs. and SS energy: 1.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2615.760152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.760152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.044466 (E_RNA)
where:
Base-Base interactions energy: -1775.204
where: short stacking energy: -775.879
Base-Backbone interact. energy: -4.018
local terms energy: -837.822350
where:
bonds (distance) C4'-P energy: -137.472
bonds (distance) P-C4' energy: -162.539
flat angles C4'-P-C4' energy: -172.716
flat angles P-C4'-P energy: -128.760
tors. eta vs tors. theta energy: -236.335
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: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2617.770776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.770776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.524480 (E_RNA)
where:
Base-Base interactions energy: -1816.434
where: short stacking energy: -759.842
Base-Backbone interact. energy: -3.964
local terms energy: -799.126224
where:
bonds (distance) C4'-P energy: -148.882
bonds (distance) P-C4' energy: -148.237
flat angles C4'-P-C4' energy: -170.779
flat angles P-C4'-P energy: -110.309
tors. eta vs tors. theta energy: -220.919
Dist. restrs. and SS energy: 1.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2369.851716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.851716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.434753 (E_RNA)
where:
Base-Base interactions energy: -1614.968
where: short stacking energy: -710.830
Base-Backbone interact. energy: -2.392
local terms energy: -755.074505
where:
bonds (distance) C4'-P energy: -127.257
bonds (distance) P-C4' energy: -145.488
flat angles C4'-P-C4' energy: -173.734
flat angles P-C4'-P energy: -110.882
tors. eta vs tors. theta energy: -197.713
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: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2257.061957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.061957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.755342 (E_RNA)
where:
Base-Base interactions energy: -1546.168
where: short stacking energy: -668.753
Base-Backbone interact. energy: -1.345
local terms energy: -712.242419
where:
bonds (distance) C4'-P energy: -131.230
bonds (distance) P-C4' energy: -144.771
flat angles C4'-P-C4' energy: -162.990
flat angles P-C4'-P energy: -94.573
tors. eta vs tors. theta energy: -178.679
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2142.474142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.474142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.250259 (E_RNA)
where:
Base-Base interactions energy: -1419.194
where: short stacking energy: -631.999
Base-Backbone interact. energy: -1.473
local terms energy: -723.583295
where:
bonds (distance) C4'-P energy: -140.271
bonds (distance) P-C4' energy: -125.683
flat angles C4'-P-C4' energy: -168.888
flat angles P-C4'-P energy: -109.185
tors. eta vs tors. theta energy: -179.556
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2026.885522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.885522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.868686 (E_RNA)
where:
Base-Base interactions energy: -1392.605
where: short stacking energy: -596.408
Base-Backbone interact. energy: 1.375
local terms energy: -636.637863
where:
bonds (distance) C4'-P energy: -130.535
bonds (distance) P-C4' energy: -130.591
flat angles C4'-P-C4' energy: -138.072
flat angles P-C4'-P energy: -88.849
tors. eta vs tors. theta energy: -148.591
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1933.323858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.323858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.411551 (E_RNA)
where:
Base-Base interactions energy: -1326.923
where: short stacking energy: -564.310
Base-Backbone interact. energy: -3.433
local terms energy: -610.055905
where:
bonds (distance) C4'-P energy: -110.937
bonds (distance) P-C4' energy: -126.961
flat angles C4'-P-C4' energy: -154.701
flat angles P-C4'-P energy: -79.834
tors. eta vs tors. theta energy: -137.623
Dist. restrs. and SS energy: 7.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1933.892505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.892505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.977851 (E_RNA)
where:
Base-Base interactions energy: -1336.349
where: short stacking energy: -527.068
Base-Backbone interact. energy: 4.627
local terms energy: -604.256293
where:
bonds (distance) C4'-P energy: -125.456
bonds (distance) P-C4' energy: -123.258
flat angles C4'-P-C4' energy: -148.149
flat angles P-C4'-P energy: -84.881
tors. eta vs tors. theta energy: -122.513
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: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2928.905940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.905940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.338275 (E_RNA)
where:
Base-Base interactions energy: -2061.335
where: short stacking energy: -848.593
Base-Backbone interact. energy: -2.114
local terms energy: -867.889737
where:
bonds (distance) C4'-P energy: -153.470
bonds (distance) P-C4' energy: -142.067
flat angles C4'-P-C4' energy: -192.363
flat angles P-C4'-P energy: -131.059
tors. eta vs tors. theta energy: -248.931
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: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2759.717276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.717276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.420621 (E_RNA)
where:
Base-Base interactions energy: -1923.030
where: short stacking energy: -812.424
Base-Backbone interact. energy: -3.936
local terms energy: -834.454632
where:
bonds (distance) C4'-P energy: -152.041
bonds (distance) P-C4' energy: -166.353
flat angles C4'-P-C4' energy: -166.885
flat angles P-C4'-P energy: -102.175
tors. eta vs tors. theta energy: -247.000
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: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2643.675894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.675894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.841367 (E_RNA)
where:
Base-Base interactions energy: -1821.247
where: short stacking energy: -779.128
Base-Backbone interact. energy: -3.208
local terms energy: -820.386035
where:
bonds (distance) C4'-P energy: -139.333
bonds (distance) P-C4' energy: -151.166
flat angles C4'-P-C4' energy: -173.995
flat angles P-C4'-P energy: -119.121
tors. eta vs tors. theta energy: -236.770
Dist. restrs. and SS energy: 1.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2567.497491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.497491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.241837 (E_RNA)
where:
Base-Base interactions energy: -1804.617
where: short stacking energy: -745.188
Base-Backbone interact. energy: 3.600
local terms energy: -767.225191
where:
bonds (distance) C4'-P energy: -144.904
bonds (distance) P-C4' energy: -147.472
flat angles C4'-P-C4' energy: -167.256
flat angles P-C4'-P energy: -106.277
tors. eta vs tors. theta energy: -201.316
Dist. restrs. and SS energy: 0.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2402.875898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.875898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.936874 (E_RNA)
where:
Base-Base interactions energy: -1654.059
where: short stacking energy: -702.436
Base-Backbone interact. energy: -2.864
local terms energy: -748.014692
where:
bonds (distance) C4'-P energy: -141.248
bonds (distance) P-C4' energy: -131.531
flat angles C4'-P-C4' energy: -162.738
flat angles P-C4'-P energy: -107.029
tors. eta vs tors. theta energy: -205.468
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: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2268.585355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.585355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.623867 (E_RNA)
where:
Base-Base interactions energy: -1544.226
where: short stacking energy: -671.652
Base-Backbone interact. energy: -2.018
local terms energy: -725.379773
where:
bonds (distance) C4'-P energy: -134.316
bonds (distance) P-C4' energy: -144.537
flat angles C4'-P-C4' energy: -163.210
flat angles P-C4'-P energy: -107.148
tors. eta vs tors. theta energy: -176.168
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: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2120.173463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.173463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.928213 (E_RNA)
where:
Base-Base interactions energy: -1447.275
where: short stacking energy: -651.138
Base-Backbone interact. energy: 0.481
local terms energy: -675.134104
where:
bonds (distance) C4'-P energy: -123.134
bonds (distance) P-C4' energy: -135.750
flat angles C4'-P-C4' energy: -159.092
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -178.326
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: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2019.467262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.467262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.120754 (E_RNA)
where:
Base-Base interactions energy: -1387.710
where: short stacking energy: -570.057
Base-Backbone interact. energy: 1.972
local terms energy: -635.382475
where:
bonds (distance) C4'-P energy: -130.266
bonds (distance) P-C4' energy: -126.599
flat angles C4'-P-C4' energy: -136.873
flat angles P-C4'-P energy: -107.689
tors. eta vs tors. theta energy: -133.955
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: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1877.789523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.789523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.907247 (E_RNA)
where:
Base-Base interactions energy: -1257.607
where: short stacking energy: -495.799
Base-Backbone interact. energy: 0.021
local terms energy: -626.321003
where:
bonds (distance) C4'-P energy: -111.268
bonds (distance) P-C4' energy: -136.763
flat angles C4'-P-C4' energy: -140.059
flat angles P-C4'-P energy: -114.544
tors. eta vs tors. theta energy: -123.687
Dist. restrs. and SS energy: 6.118 (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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1857.748242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.748242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.277039 (E_RNA)
where:
Base-Base interactions energy: -1279.037
where: short stacking energy: -542.804
Base-Backbone interact. energy: -0.365
local terms energy: -580.875784
where:
bonds (distance) C4'-P energy: -92.650
bonds (distance) P-C4' energy: -135.776
flat angles C4'-P-C4' energy: -137.774
flat angles P-C4'-P energy: -82.732
tors. eta vs tors. theta energy: -131.944
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: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2907.811678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.811678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.991668 (E_RNA)
where:
Base-Base interactions energy: -2016.620
where: short stacking energy: -830.245
Base-Backbone interact. energy: -5.198
local terms energy: -889.174167
where:
bonds (distance) C4'-P energy: -164.139
bonds (distance) P-C4' energy: -174.948
flat angles C4'-P-C4' energy: -189.906
flat angles P-C4'-P energy: -120.233
tors. eta vs tors. theta energy: -239.947
Dist. restrs. and SS energy: 3.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2747.201351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.201351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.650596 (E_RNA)
where:
Base-Base interactions energy: -1930.868
where: short stacking energy: -783.333
Base-Backbone interact. energy: -3.385
local terms energy: -814.397480
where:
bonds (distance) C4'-P energy: -148.968
bonds (distance) P-C4' energy: -150.830
flat angles C4'-P-C4' energy: -168.546
flat angles P-C4'-P energy: -118.198
tors. eta vs tors. theta energy: -227.856
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2614.605294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.605294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.943363 (E_RNA)
where:
Base-Base interactions energy: -1797.072
where: short stacking energy: -771.985
Base-Backbone interact. energy: -3.043
local terms energy: -816.828268
where:
bonds (distance) C4'-P energy: -139.989
bonds (distance) P-C4' energy: -155.300
flat angles C4'-P-C4' energy: -171.053
flat angles P-C4'-P energy: -118.528
tors. eta vs tors. theta energy: -231.959
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: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2583.308388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.308388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.278864 (E_RNA)
where:
Base-Base interactions energy: -1764.918
where: short stacking energy: -753.364
Base-Backbone interact. energy: -3.945
local terms energy: -815.416057
where:
bonds (distance) C4'-P energy: -126.647
bonds (distance) P-C4' energy: -167.948
flat angles C4'-P-C4' energy: -160.751
flat angles P-C4'-P energy: -122.217
tors. eta vs tors. theta energy: -237.853
Dist. restrs. and SS energy: 0.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2478.755236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.755236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.896473 (E_RNA)
where:
Base-Base interactions energy: -1712.581
where: short stacking energy: -727.355
Base-Backbone interact. energy: -0.996
local terms energy: -767.319678
where:
bonds (distance) C4'-P energy: -152.721
bonds (distance) P-C4' energy: -150.557
flat angles C4'-P-C4' energy: -156.843
flat angles P-C4'-P energy: -92.980
tors. eta vs tors. theta energy: -214.219
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2223.899948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.899948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.962830 (E_RNA)
where:
Base-Base interactions energy: -1552.539
where: short stacking energy: -622.900
Base-Backbone interact. energy: 2.294
local terms energy: -674.717713
where:
bonds (distance) C4'-P energy: -140.747
bonds (distance) P-C4' energy: -135.197
flat angles C4'-P-C4' energy: -142.906
flat angles P-C4'-P energy: -92.423
tors. eta vs tors. theta energy: -163.445
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: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2096.510434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.510434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.097875 (E_RNA)
where:
Base-Base interactions energy: -1426.143
where: short stacking energy: -619.343
Base-Backbone interact. energy: -0.817
local terms energy: -672.138667
where:
bonds (distance) C4'-P energy: -117.874
bonds (distance) P-C4' energy: -146.236
flat angles C4'-P-C4' energy: -145.150
flat angles P-C4'-P energy: -100.574
tors. eta vs tors. theta energy: -162.304
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: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1986.899095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.899095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.839449 (E_RNA)
where:
Base-Base interactions energy: -1337.416
where: short stacking energy: -560.838
Base-Backbone interact. energy: -0.085
local terms energy: -653.339219
where:
bonds (distance) C4'-P energy: -134.800
bonds (distance) P-C4' energy: -130.289
flat angles C4'-P-C4' energy: -150.052
flat angles P-C4'-P energy: -101.565
tors. eta vs tors. theta energy: -136.633
Dist. restrs. and SS energy: 3.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1887.296446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.296446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.034899 (E_RNA)
where:
Base-Base interactions energy: -1298.425
where: short stacking energy: -539.991
Base-Backbone interact. energy: -2.988
local terms energy: -589.621917
where:
bonds (distance) C4'-P energy: -134.138
bonds (distance) P-C4' energy: -118.903
flat angles C4'-P-C4' energy: -128.502
flat angles P-C4'-P energy: -85.316
tors. eta vs tors. theta energy: -122.763
Dist. restrs. and SS energy: 3.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1913.620462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.620462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.293763 (E_RNA)
where:
Base-Base interactions energy: -1305.105
where: short stacking energy: -545.280
Base-Backbone interact. energy: -0.904
local terms energy: -610.285225
where:
bonds (distance) C4'-P energy: -124.112
bonds (distance) P-C4' energy: -121.817
flat angles C4'-P-C4' energy: -151.981
flat angles P-C4'-P energy: -83.652
tors. eta vs tors. theta energy: -128.724
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2943.564079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.564079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.459500 (E_RNA)
where:
Base-Base interactions energy: -2049.945
where: short stacking energy: -846.314
Base-Backbone interact. energy: -1.088
local terms energy: -894.426893
where:
bonds (distance) C4'-P energy: -170.348
bonds (distance) P-C4' energy: -158.308
flat angles C4'-P-C4' energy: -188.837
flat angles P-C4'-P energy: -123.391
tors. eta vs tors. theta energy: -253.542
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: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2768.783929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.783929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.523712 (E_RNA)
where:
Base-Base interactions energy: -1912.546
where: short stacking energy: -780.420
Base-Backbone interact. energy: -3.803
local terms energy: -854.174718
where:
bonds (distance) C4'-P energy: -147.293
bonds (distance) P-C4' energy: -158.722
flat angles C4'-P-C4' energy: -184.501
flat angles P-C4'-P energy: -132.522
tors. eta vs tors. theta energy: -231.138
Dist. restrs. and SS energy: 1.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2626.085460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.085460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.262274 (E_RNA)
where:
Base-Base interactions energy: -1829.787
where: short stacking energy: -777.810
Base-Backbone interact. energy: -3.186
local terms energy: -795.288941
where:
bonds (distance) C4'-P energy: -148.235
bonds (distance) P-C4' energy: -147.591
flat angles C4'-P-C4' energy: -172.845
flat angles P-C4'-P energy: -102.787
tors. eta vs tors. theta energy: -223.831
Dist. restrs. and SS energy: 2.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2583.419832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.419832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.275000 (E_RNA)
where:
Base-Base interactions energy: -1753.015
where: short stacking energy: -764.225
Base-Backbone interact. energy: -3.073
local terms energy: -829.187551
where:
bonds (distance) C4'-P energy: -140.395
bonds (distance) P-C4' energy: -164.938
flat angles C4'-P-C4' energy: -184.816
flat angles P-C4'-P energy: -105.736
tors. eta vs tors. theta energy: -233.303
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2429.836498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.836498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.752752 (E_RNA)
where:
Base-Base interactions energy: -1681.449
where: short stacking energy: -696.544
Base-Backbone interact. energy: -3.114
local terms energy: -748.190000
where:
bonds (distance) C4'-P energy: -134.058
bonds (distance) P-C4' energy: -140.645
flat angles C4'-P-C4' energy: -161.515
flat angles P-C4'-P energy: -108.456
tors. eta vs tors. theta energy: -203.515
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: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2217.521537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.521537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.827830 (E_RNA)
where:
Base-Base interactions energy: -1467.445
where: short stacking energy: -634.017
Base-Backbone interact. energy: -2.553
local terms energy: -749.830754
where:
bonds (distance) C4'-P energy: -154.643
bonds (distance) P-C4' energy: -144.744
flat angles C4'-P-C4' energy: -175.538
flat angles P-C4'-P energy: -97.995
tors. eta vs tors. theta energy: -176.911
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2107.302389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.302389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.416801 (E_RNA)
where:
Base-Base interactions energy: -1474.481
where: short stacking energy: -628.030
Base-Backbone interact. energy: 1.637
local terms energy: -637.573033
where:
bonds (distance) C4'-P energy: -117.824
bonds (distance) P-C4' energy: -122.464
flat angles C4'-P-C4' energy: -149.484
flat angles P-C4'-P energy: -82.572
tors. eta vs tors. theta energy: -165.229
Dist. restrs. and SS energy: 3.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2029.265747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.265747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.142494 (E_RNA)
where:
Base-Base interactions energy: -1375.209
where: short stacking energy: -575.362
Base-Backbone interact. energy: -1.581
local terms energy: -654.352408
where:
bonds (distance) C4'-P energy: -126.009
bonds (distance) P-C4' energy: -131.815
flat angles C4'-P-C4' energy: -154.993
flat angles P-C4'-P energy: -90.230
tors. eta vs tors. theta energy: -151.306
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1929.529218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.529218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.399706 (E_RNA)
where:
Base-Base interactions energy: -1328.601
where: short stacking energy: -558.251
Base-Backbone interact. energy: 9.633
local terms energy: -613.431049
where:
bonds (distance) C4'-P energy: -114.030
bonds (distance) P-C4' energy: -136.014
flat angles C4'-P-C4' energy: -142.956
flat angles P-C4'-P energy: -81.093
tors. eta vs tors. theta energy: -139.338
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1912.494500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.494500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.566591 (E_RNA)
where:
Base-Base interactions energy: -1316.398
where: short stacking energy: -560.183
Base-Backbone interact. energy: 4.650
local terms energy: -602.817860
where:
bonds (distance) C4'-P energy: -130.513
bonds (distance) P-C4' energy: -127.288
flat angles C4'-P-C4' energy: -102.111
flat angles P-C4'-P energy: -95.676
tors. eta vs tors. theta energy: -147.231
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: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2931.304799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.304799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.282612 (E_RNA)
where:
Base-Base interactions energy: -2039.157
where: short stacking energy: -832.958
Base-Backbone interact. energy: -6.560
local terms energy: -887.565835
where:
bonds (distance) C4'-P energy: -161.992
bonds (distance) P-C4' energy: -165.620
flat angles C4'-P-C4' energy: -185.766
flat angles P-C4'-P energy: -126.622
tors. eta vs tors. theta energy: -247.566
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: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2753.364065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.364065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.008735 (E_RNA)
where:
Base-Base interactions energy: -1903.577
where: short stacking energy: -769.151
Base-Backbone interact. energy: 2.765
local terms energy: -855.196550
where:
bonds (distance) C4'-P energy: -168.801
bonds (distance) P-C4' energy: -162.899
flat angles C4'-P-C4' energy: -185.089
flat angles P-C4'-P energy: -118.551
tors. eta vs tors. theta energy: -219.857
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: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2586.147127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.147127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.791259 (E_RNA)
where:
Base-Base interactions energy: -1802.690
where: short stacking energy: -782.954
Base-Backbone interact. energy: -2.522
local terms energy: -783.579369
where:
bonds (distance) C4'-P energy: -150.491
bonds (distance) P-C4' energy: -144.732
flat angles C4'-P-C4' energy: -166.999
flat angles P-C4'-P energy: -92.837
tors. eta vs tors. theta energy: -228.520
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: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2494.534764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.534764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.270904 (E_RNA)
where:
Base-Base interactions energy: -1702.930
where: short stacking energy: -702.106
Base-Backbone interact. energy: -3.404
local terms energy: -790.937062
where:
bonds (distance) C4'-P energy: -150.290
bonds (distance) P-C4' energy: -152.493
flat angles C4'-P-C4' energy: -172.272
flat angles P-C4'-P energy: -114.009
tors. eta vs tors. theta energy: -201.873
Dist. restrs. and SS energy: 2.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2428.544223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.544223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.052981 (E_RNA)
where:
Base-Base interactions energy: -1658.090
where: short stacking energy: -688.777
Base-Backbone interact. energy: -1.538
local terms energy: -772.424824
where:
bonds (distance) C4'-P energy: -155.882
bonds (distance) P-C4' energy: -155.581
flat angles C4'-P-C4' energy: -165.506
flat angles P-C4'-P energy: -103.933
tors. eta vs tors. theta energy: -191.523
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: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2205.713678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.713678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.505152 (E_RNA)
where:
Base-Base interactions energy: -1497.737
where: short stacking energy: -657.824
Base-Backbone interact. energy: -0.826
local terms energy: -708.941662
where:
bonds (distance) C4'-P energy: -144.319
bonds (distance) P-C4' energy: -129.240
flat angles C4'-P-C4' energy: -176.231
flat angles P-C4'-P energy: -71.599
tors. eta vs tors. theta energy: -187.553
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2227.652561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.652561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.467526 (E_RNA)
where:
Base-Base interactions energy: -1517.314
where: short stacking energy: -635.723
Base-Backbone interact. energy: -1.917
local terms energy: -712.236912
where:
bonds (distance) C4'-P energy: -127.635
bonds (distance) P-C4' energy: -151.894
flat angles C4'-P-C4' energy: -136.633
flat angles P-C4'-P energy: -126.116
tors. eta vs tors. theta energy: -169.959
Dist. restrs. and SS energy: 3.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2006.269340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.269340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.433885 (E_RNA)
where:
Base-Base interactions energy: -1389.103
where: short stacking energy: -594.550
Base-Backbone interact. energy: 3.902
local terms energy: -628.232852
where:
bonds (distance) C4'-P energy: -128.468
bonds (distance) P-C4' energy: -122.085
flat angles C4'-P-C4' energy: -136.774
flat angles P-C4'-P energy: -83.815
tors. eta vs tors. theta energy: -157.091
Dist. restrs. and SS energy: 7.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1927.042114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.042114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.266125 (E_RNA)
where:
Base-Base interactions energy: -1306.829
where: short stacking energy: -562.531
Base-Backbone interact. energy: 6.286
local terms energy: -630.723272
where:
bonds (distance) C4'-P energy: -133.784
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -151.514
flat angles P-C4'-P energy: -86.297
tors. eta vs tors. theta energy: -148.544
Dist. restrs. and SS energy: 4.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1854.817821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.817821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.316482 (E_RNA)
where:
Base-Base interactions energy: -1268.387
where: short stacking energy: -535.379
Base-Backbone interact. energy: 2.013
local terms energy: -591.942245
where:
bonds (distance) C4'-P energy: -135.862
bonds (distance) P-C4' energy: -132.446
flat angles C4'-P-C4' energy: -125.372
flat angles P-C4'-P energy: -66.165
tors. eta vs tors. theta energy: -132.096
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2876.852401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.852401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.218756 (E_RNA)
where:
Base-Base interactions energy: -2024.336
where: short stacking energy: -809.014
Base-Backbone interact. energy: -3.112
local terms energy: -851.770721
where:
bonds (distance) C4'-P energy: -172.728
bonds (distance) P-C4' energy: -163.117
flat angles C4'-P-C4' energy: -173.147
flat angles P-C4'-P energy: -111.509
tors. eta vs tors. theta energy: -231.269
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: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2731.715705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.715705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.960240 (E_RNA)
where:
Base-Base interactions energy: -1887.544
where: short stacking energy: -784.612
Base-Backbone interact. energy: -2.710
local terms energy: -844.706127
where:
bonds (distance) C4'-P energy: -150.098
bonds (distance) P-C4' energy: -161.505
flat angles C4'-P-C4' energy: -183.278
flat angles P-C4'-P energy: -128.917
tors. eta vs tors. theta energy: -220.909
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: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2612.015391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.015391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.750562 (E_RNA)
where:
Base-Base interactions energy: -1782.434
where: short stacking energy: -768.924
Base-Backbone interact. energy: -1.231
local terms energy: -830.085321
where:
bonds (distance) C4'-P energy: -143.437
bonds (distance) P-C4' energy: -161.576
flat angles C4'-P-C4' energy: -182.673
flat angles P-C4'-P energy: -116.070
tors. eta vs tors. theta energy: -226.329
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2591.864530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.864530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.503431 (E_RNA)
where:
Base-Base interactions energy: -1760.825
where: short stacking energy: -753.632
Base-Backbone interact. energy: 3.764
local terms energy: -837.442540
where:
bonds (distance) C4'-P energy: -148.044
bonds (distance) P-C4' energy: -138.869
flat angles C4'-P-C4' energy: -185.540
flat angles P-C4'-P energy: -131.374
tors. eta vs tors. theta energy: -233.616
Dist. restrs. and SS energy: 2.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2505.636309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.636309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.774162 (E_RNA)
where:
Base-Base interactions energy: -1715.673
where: short stacking energy: -736.708
Base-Backbone interact. energy: -0.392
local terms energy: -792.708943
where:
bonds (distance) C4'-P energy: -145.215
bonds (distance) P-C4' energy: -157.501
flat angles C4'-P-C4' energy: -177.847
flat angles P-C4'-P energy: -100.831
tors. eta vs tors. theta energy: -211.315
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2199.955362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.955362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.192291 (E_RNA)
where:
Base-Base interactions energy: -1458.674
where: short stacking energy: -645.999
Base-Backbone interact. energy: 0.079
local terms energy: -743.596418
where:
bonds (distance) C4'-P energy: -148.730
bonds (distance) P-C4' energy: -146.464
flat angles C4'-P-C4' energy: -156.465
flat angles P-C4'-P energy: -112.232
tors. eta vs tors. theta energy: -179.706
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: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2173.433427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.433427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.413164 (E_RNA)
where:
Base-Base interactions energy: -1487.184
where: short stacking energy: -609.171
Base-Backbone interact. energy: 2.106
local terms energy: -690.335845
where:
bonds (distance) C4'-P energy: -144.190
bonds (distance) P-C4' energy: -136.438
flat angles C4'-P-C4' energy: -154.701
flat angles P-C4'-P energy: -91.019
tors. eta vs tors. theta energy: -163.987
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2019.071587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.071587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.107620 (E_RNA)
where:
Base-Base interactions energy: -1362.586
where: short stacking energy: -571.090
Base-Backbone interact. energy: -3.422
local terms energy: -655.099446
where:
bonds (distance) C4'-P energy: -118.152
bonds (distance) P-C4' energy: -146.312
flat angles C4'-P-C4' energy: -149.819
flat angles P-C4'-P energy: -84.656
tors. eta vs tors. theta energy: -156.162
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: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1963.216788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.216788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.069514 (E_RNA)
where:
Base-Base interactions energy: -1345.586
where: short stacking energy: -589.662
Base-Backbone interact. energy: -3.773
local terms energy: -616.710735
where:
bonds (distance) C4'-P energy: -114.495
bonds (distance) P-C4' energy: -123.328
flat angles C4'-P-C4' energy: -125.603
flat angles P-C4'-P energy: -99.172
tors. eta vs tors. theta energy: -154.113
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1854.267479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.267479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.388833 (E_RNA)
where:
Base-Base interactions energy: -1299.566
where: short stacking energy: -547.752
Base-Backbone interact. energy: -2.899
local terms energy: -554.923328
where:
bonds (distance) C4'-P energy: -118.079
bonds (distance) P-C4' energy: -100.119
flat angles C4'-P-C4' energy: -122.072
flat angles P-C4'-P energy: -74.519
tors. eta vs tors. theta energy: -140.134
Dist. restrs. and SS energy: 3.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2925.047817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.047817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.214451 (E_RNA)
where:
Base-Base interactions energy: -2055.080
where: short stacking energy: -832.340
Base-Backbone interact. energy: -6.912
local terms energy: -865.222613
where:
bonds (distance) C4'-P energy: -169.503
bonds (distance) P-C4' energy: -165.789
flat angles C4'-P-C4' energy: -173.669
flat angles P-C4'-P energy: -119.101
tors. eta vs tors. theta energy: -237.160
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2771.440205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.440205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.072717 (E_RNA)
where:
Base-Base interactions energy: -1930.827
where: short stacking energy: -813.343
Base-Backbone interact. energy: -8.740
local terms energy: -834.504944
where:
bonds (distance) C4'-P energy: -149.127
bonds (distance) P-C4' energy: -168.440
flat angles C4'-P-C4' energy: -171.332
flat angles P-C4'-P energy: -109.473
tors. eta vs tors. theta energy: -236.132
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2621.039210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.039210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.266778 (E_RNA)
where:
Base-Base interactions energy: -1767.167
where: short stacking energy: -772.659
Base-Backbone interact. energy: 4.227
local terms energy: -860.326235
where:
bonds (distance) C4'-P energy: -159.517
bonds (distance) P-C4' energy: -167.997
flat angles C4'-P-C4' energy: -181.820
flat angles P-C4'-P energy: -113.534
tors. eta vs tors. theta energy: -237.459
Dist. restrs. and SS energy: 2.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2578.016384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.016384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.962749 (E_RNA)
where:
Base-Base interactions energy: -1785.627
where: short stacking energy: -756.787
Base-Backbone interact. energy: -2.555
local terms energy: -791.781093
where:
bonds (distance) C4'-P energy: -143.889
bonds (distance) P-C4' energy: -148.053
flat angles C4'-P-C4' energy: -164.165
flat angles P-C4'-P energy: -119.004
tors. eta vs tors. theta energy: -216.669
Dist. restrs. and SS energy: 1.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2448.654124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.654124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.240717 (E_RNA)
where:
Base-Base interactions energy: -1663.542
where: short stacking energy: -715.874
Base-Backbone interact. energy: -5.157
local terms energy: -783.541285
where:
bonds (distance) C4'-P energy: -142.162
bonds (distance) P-C4' energy: -150.459
flat angles C4'-P-C4' energy: -175.839
flat angles P-C4'-P energy: -105.824
tors. eta vs tors. theta energy: -209.258
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: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2236.386167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.386167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.830478 (E_RNA)
where:
Base-Base interactions energy: -1498.301
where: short stacking energy: -654.197
Base-Backbone interact. energy: -0.147
local terms energy: -739.382587
where:
bonds (distance) C4'-P energy: -137.497
bonds (distance) P-C4' energy: -118.017
flat angles C4'-P-C4' energy: -187.907
flat angles P-C4'-P energy: -101.973
tors. eta vs tors. theta energy: -193.988
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: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2197.710178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.710178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.118033 (E_RNA)
where:
Base-Base interactions energy: -1481.134
where: short stacking energy: -609.877
Base-Backbone interact. energy: 0.344
local terms energy: -718.327654
where:
bonds (distance) C4'-P energy: -130.573
bonds (distance) P-C4' energy: -131.619
flat angles C4'-P-C4' energy: -162.334
flat angles P-C4'-P energy: -114.357
tors. eta vs tors. theta energy: -179.445
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1997.149834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.149834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.085651 (E_RNA)
where:
Base-Base interactions energy: -1368.770
where: short stacking energy: -563.122
Base-Backbone interact. energy: 0.662
local terms energy: -631.976994
where:
bonds (distance) C4'-P energy: -137.107
bonds (distance) P-C4' energy: -115.541
flat angles C4'-P-C4' energy: -147.935
flat angles P-C4'-P energy: -86.386
tors. eta vs tors. theta energy: -145.007
Dist. restrs. and SS energy: 2.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1929.587134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.587134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.280902 (E_RNA)
where:
Base-Base interactions energy: -1334.562
where: short stacking energy: -560.092
Base-Backbone interact. energy: -0.917
local terms energy: -596.802616
where:
bonds (distance) C4'-P energy: -119.773
bonds (distance) P-C4' energy: -112.389
flat angles C4'-P-C4' energy: -127.126
flat angles P-C4'-P energy: -87.391
tors. eta vs tors. theta energy: -150.125
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: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1914.288812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.288812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.423703 (E_RNA)
where:
Base-Base interactions energy: -1300.261
where: short stacking energy: -538.052
Base-Backbone interact. energy: 0.554
local terms energy: -618.717076
where:
bonds (distance) C4'-P energy: -118.616
bonds (distance) P-C4' energy: -130.083
flat angles C4'-P-C4' energy: -130.972
flat angles P-C4'-P energy: -94.390
tors. eta vs tors. theta energy: -144.656
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: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2930.027247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.027247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.691647 (E_RNA)
where:
Base-Base interactions energy: -2050.477
where: short stacking energy: -844.737
Base-Backbone interact. energy: 4.563
local terms energy: -886.777806
where:
bonds (distance) C4'-P energy: -160.193
bonds (distance) P-C4' energy: -172.489
flat angles C4'-P-C4' energy: -190.167
flat angles P-C4'-P energy: -119.350
tors. eta vs tors. theta energy: -244.580
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2782.852912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.852912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.617477 (E_RNA)
where:
Base-Base interactions energy: -1963.585
where: short stacking energy: -784.466
Base-Backbone interact. energy: -3.982
local terms energy: -817.050846
where:
bonds (distance) C4'-P energy: -153.934
bonds (distance) P-C4' energy: -159.694
flat angles C4'-P-C4' energy: -181.567
flat angles P-C4'-P energy: -107.902
tors. eta vs tors. theta energy: -213.954
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2610.621008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.621008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.101440 (E_RNA)
where:
Base-Base interactions energy: -1783.467
where: short stacking energy: -776.904
Base-Backbone interact. energy: -3.874
local terms energy: -825.760427
where:
bonds (distance) C4'-P energy: -161.766
bonds (distance) P-C4' energy: -153.143
flat angles C4'-P-C4' energy: -186.557
flat angles P-C4'-P energy: -103.603
tors. eta vs tors. theta energy: -220.690
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: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2578.121400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.121400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.443970 (E_RNA)
where:
Base-Base interactions energy: -1816.485
where: short stacking energy: -768.763
Base-Backbone interact. energy: 1.568
local terms energy: -764.526946
where:
bonds (distance) C4'-P energy: -118.536
bonds (distance) P-C4' energy: -141.225
flat angles C4'-P-C4' energy: -167.392
flat angles P-C4'-P energy: -111.230
tors. eta vs tors. theta energy: -226.144
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2464.879839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.879839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.935354 (E_RNA)
where:
Base-Base interactions energy: -1690.121
where: short stacking energy: -718.865
Base-Backbone interact. energy: -3.909
local terms energy: -772.905841
where:
bonds (distance) C4'-P energy: -139.099
bonds (distance) P-C4' energy: -153.157
flat angles C4'-P-C4' energy: -162.954
flat angles P-C4'-P energy: -121.856
tors. eta vs tors. theta energy: -195.840
Dist. restrs. and SS energy: 2.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2265.244779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.244779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.058268 (E_RNA)
where:
Base-Base interactions energy: -1518.871
where: short stacking energy: -666.127
Base-Backbone interact. energy: 3.735
local terms energy: -752.921831
where:
bonds (distance) C4'-P energy: -147.243
bonds (distance) P-C4' energy: -143.266
flat angles C4'-P-C4' energy: -177.523
flat angles P-C4'-P energy: -107.631
tors. eta vs tors. theta energy: -177.259
Dist. restrs. and SS energy: 2.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2119.986300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.986300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.709785 (E_RNA)
where:
Base-Base interactions energy: -1382.324
where: short stacking energy: -608.553
Base-Backbone interact. energy: -2.047
local terms energy: -737.338423
where:
bonds (distance) C4'-P energy: -135.159
bonds (distance) P-C4' energy: -158.413
flat angles C4'-P-C4' energy: -169.579
flat angles P-C4'-P energy: -105.924
tors. eta vs tors. theta energy: -168.264
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2001.377079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.377079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.919767 (E_RNA)
where:
Base-Base interactions energy: -1348.692
where: short stacking energy: -546.244
Base-Backbone interact. energy: 1.542
local terms energy: -657.769727
where:
bonds (distance) C4'-P energy: -137.895
bonds (distance) P-C4' energy: -150.211
flat angles C4'-P-C4' energy: -154.883
flat angles P-C4'-P energy: -75.079
tors. eta vs tors. theta energy: -139.702
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: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1910.286783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.286783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.640800 (E_RNA)
where:
Base-Base interactions energy: -1305.484
where: short stacking energy: -558.597
Base-Backbone interact. energy: -1.331
local terms energy: -606.825730
where:
bonds (distance) C4'-P energy: -116.028
bonds (distance) P-C4' energy: -119.594
flat angles C4'-P-C4' energy: -143.802
flat angles P-C4'-P energy: -91.609
tors. eta vs tors. theta energy: -135.793
Dist. restrs. and SS energy: 3.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1814.671648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.671648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.473368 (E_RNA)
where:
Base-Base interactions energy: -1250.957
where: short stacking energy: -525.778
Base-Backbone interact. energy: 0.285
local terms energy: -566.801632
where:
bonds (distance) C4'-P energy: -121.327
bonds (distance) P-C4' energy: -145.961
flat angles C4'-P-C4' energy: -130.226
flat angles P-C4'-P energy: -52.185
tors. eta vs tors. theta energy: -117.103
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2938.135965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.135965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.105584 (E_RNA)
where:
Base-Base interactions energy: -2057.900
where: short stacking energy: -863.580
Base-Backbone interact. energy: -1.154
local terms energy: -881.051543
where:
bonds (distance) C4'-P energy: -163.368
bonds (distance) P-C4' energy: -172.272
flat angles C4'-P-C4' energy: -188.079
flat angles P-C4'-P energy: -111.713
tors. eta vs tors. theta energy: -245.620
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: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2801.690992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.690992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.005752 (E_RNA)
where:
Base-Base interactions energy: -1927.815
where: short stacking energy: -819.903
Base-Backbone interact. energy: -4.196
local terms energy: -870.994174
where:
bonds (distance) C4'-P energy: -166.917
bonds (distance) P-C4' energy: -169.646
flat angles C4'-P-C4' energy: -170.343
flat angles P-C4'-P energy: -130.219
tors. eta vs tors. theta energy: -233.869
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: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2615.399237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.399237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.743800 (E_RNA)
where:
Base-Base interactions energy: -1785.236
where: short stacking energy: -796.163
Base-Backbone interact. energy: -1.127
local terms energy: -831.381183
where:
bonds (distance) C4'-P energy: -154.279
bonds (distance) P-C4' energy: -150.053
flat angles C4'-P-C4' energy: -179.344
flat angles P-C4'-P energy: -123.941
tors. eta vs tors. theta energy: -223.765
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: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2543.365788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.365788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.570198 (E_RNA)
where:
Base-Base interactions energy: -1754.906
where: short stacking energy: -749.264
Base-Backbone interact. energy: -2.215
local terms energy: -788.449318
where:
bonds (distance) C4'-P energy: -144.580
bonds (distance) P-C4' energy: -126.192
flat angles C4'-P-C4' energy: -170.933
flat angles P-C4'-P energy: -117.069
tors. eta vs tors. theta energy: -229.674
Dist. restrs. and SS energy: 2.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2405.863895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.863895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.732131 (E_RNA)
where:
Base-Base interactions energy: -1633.984
where: short stacking energy: -696.258
Base-Backbone interact. energy: -1.314
local terms energy: -772.434334
where:
bonds (distance) C4'-P energy: -152.445
bonds (distance) P-C4' energy: -142.252
flat angles C4'-P-C4' energy: -161.309
flat angles P-C4'-P energy: -114.947
tors. eta vs tors. theta energy: -201.482
Dist. restrs. and SS energy: 1.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2267.560975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.560975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.283655 (E_RNA)
where:
Base-Base interactions energy: -1524.511
where: short stacking energy: -659.532
Base-Backbone interact. energy: -1.751
local terms energy: -743.021662
where:
bonds (distance) C4'-P energy: -151.350
bonds (distance) P-C4' energy: -145.147
flat angles C4'-P-C4' energy: -160.286
flat angles P-C4'-P energy: -92.353
tors. eta vs tors. theta energy: -193.885
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2113.501811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.501811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.258682 (E_RNA)
where:
Base-Base interactions energy: -1392.204
where: short stacking energy: -604.135
Base-Backbone interact. energy: -3.570
local terms energy: -720.484195
where:
bonds (distance) C4'-P energy: -137.001
bonds (distance) P-C4' energy: -154.152
flat angles C4'-P-C4' energy: -157.251
flat angles P-C4'-P energy: -101.554
tors. eta vs tors. theta energy: -170.525
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: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2019.382626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.382626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.227793 (E_RNA)
where:
Base-Base interactions energy: -1359.466
where: short stacking energy: -575.316
Base-Backbone interact. energy: -0.041
local terms energy: -662.720704
where:
bonds (distance) C4'-P energy: -127.878
bonds (distance) P-C4' energy: -135.954
flat angles C4'-P-C4' energy: -145.034
flat angles P-C4'-P energy: -99.387
tors. eta vs tors. theta energy: -154.467
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: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1975.769392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.769392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.323909 (E_RNA)
where:
Base-Base interactions energy: -1353.941
where: short stacking energy: -574.101
Base-Backbone interact. energy: 3.651
local terms energy: -629.033931
where:
bonds (distance) C4'-P energy: -116.330
bonds (distance) P-C4' energy: -128.679
flat angles C4'-P-C4' energy: -139.749
flat angles P-C4'-P energy: -95.301
tors. eta vs tors. theta energy: -148.975
Dist. restrs. and SS energy: 3.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1848.376998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.376998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.174643 (E_RNA)
where:
Base-Base interactions energy: -1280.576
where: short stacking energy: -544.255
Base-Backbone interact. energy: 5.638
local terms energy: -576.236534
where:
bonds (distance) C4'-P energy: -118.916
bonds (distance) P-C4' energy: -127.195
flat angles C4'-P-C4' energy: -131.114
flat angles P-C4'-P energy: -71.193
tors. eta vs tors. theta energy: -127.819
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2915.454285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.454285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.637666 (E_RNA)
where:
Base-Base interactions energy: -2040.293
where: short stacking energy: -869.899
Base-Backbone interact. energy: 0.145
local terms energy: -876.490367
where:
bonds (distance) C4'-P energy: -144.384
bonds (distance) P-C4' energy: -160.465
flat angles C4'-P-C4' energy: -191.118
flat angles P-C4'-P energy: -127.871
tors. eta vs tors. theta energy: -252.652
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2793.403710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.403710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.908895 (E_RNA)
where:
Base-Base interactions energy: -1923.011
where: short stacking energy: -779.621
Base-Backbone interact. energy: -4.822
local terms energy: -867.075997
where:
bonds (distance) C4'-P energy: -153.904
bonds (distance) P-C4' energy: -163.880
flat angles C4'-P-C4' energy: -176.753
flat angles P-C4'-P energy: -124.008
tors. eta vs tors. theta energy: -248.531
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2572.936175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.936175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.222407 (E_RNA)
where:
Base-Base interactions energy: -1736.463
where: short stacking energy: -782.150
Base-Backbone interact. energy: -1.810
local terms energy: -835.950151
where:
bonds (distance) C4'-P energy: -146.502
bonds (distance) P-C4' energy: -150.502
flat angles C4'-P-C4' energy: -182.630
flat angles P-C4'-P energy: -123.534
tors. eta vs tors. theta energy: -232.782
Dist. restrs. and SS energy: 1.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2616.520580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.520580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.236956 (E_RNA)
where:
Base-Base interactions energy: -1799.074
where: short stacking energy: -780.683
Base-Backbone interact. energy: -0.774
local terms energy: -818.389314
where:
bonds (distance) C4'-P energy: -143.819
bonds (distance) P-C4' energy: -162.847
flat angles C4'-P-C4' energy: -169.296
flat angles P-C4'-P energy: -113.142
tors. eta vs tors. theta energy: -229.285
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: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2435.848657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.848657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.083902 (E_RNA)
where:
Base-Base interactions energy: -1685.764
where: short stacking energy: -692.885
Base-Backbone interact. energy: -2.564
local terms energy: -749.755788
where:
bonds (distance) C4'-P energy: -129.467
bonds (distance) P-C4' energy: -163.378
flat angles C4'-P-C4' energy: -163.203
flat angles P-C4'-P energy: -92.768
tors. eta vs tors. theta energy: -200.940
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: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2265.616118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.616118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.657527 (E_RNA)
where:
Base-Base interactions energy: -1522.357
where: short stacking energy: -662.733
Base-Backbone interact. energy: -0.615
local terms energy: -745.685572
where:
bonds (distance) C4'-P energy: -127.275
bonds (distance) P-C4' energy: -163.802
flat angles C4'-P-C4' energy: -172.979
flat angles P-C4'-P energy: -109.854
tors. eta vs tors. theta energy: -171.776
Dist. restrs. and SS energy: 3.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2136.635745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.635745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.660662 (E_RNA)
where:
Base-Base interactions energy: -1485.628
where: short stacking energy: -653.123
Base-Backbone interact. energy: 0.221
local terms energy: -654.253494
where:
bonds (distance) C4'-P energy: -129.132
bonds (distance) P-C4' energy: -112.691
flat angles C4'-P-C4' energy: -144.275
flat angles P-C4'-P energy: -94.617
tors. eta vs tors. theta energy: -173.539
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1984.274467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.274467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.556501 (E_RNA)
where:
Base-Base interactions energy: -1356.695
where: short stacking energy: -566.056
Base-Backbone interact. energy: 3.246
local terms energy: -634.107031
where:
bonds (distance) C4'-P energy: -143.462
bonds (distance) P-C4' energy: -134.356
flat angles C4'-P-C4' energy: -133.368
flat angles P-C4'-P energy: -85.380
tors. eta vs tors. theta energy: -137.541
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1909.575776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.575776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.909602 (E_RNA)
where:
Base-Base interactions energy: -1309.999
where: short stacking energy: -557.932
Base-Backbone interact. energy: 0.078
local terms energy: -601.988608
where:
bonds (distance) C4'-P energy: -116.251
bonds (distance) P-C4' energy: -131.300
flat angles C4'-P-C4' energy: -138.602
flat angles P-C4'-P energy: -78.237
tors. eta vs tors. theta energy: -137.599
Dist. restrs. and SS energy: 2.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1846.002201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.002201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.779566 (E_RNA)
where:
Base-Base interactions energy: -1246.423
where: short stacking energy: -498.535
Base-Backbone interact. energy: 3.243
local terms energy: -605.598822
where:
bonds (distance) C4'-P energy: -120.451
bonds (distance) P-C4' energy: -136.589
flat angles C4'-P-C4' energy: -139.165
flat angles P-C4'-P energy: -99.106
tors. eta vs tors. theta energy: -110.288
Dist. restrs. and SS energy: 2.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2911.656079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.656079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.911216 (E_RNA)
where:
Base-Base interactions energy: -2015.429
where: short stacking energy: -848.352
Base-Backbone interact. energy: 4.481
local terms energy: -901.963243
where:
bonds (distance) C4'-P energy: -164.883
bonds (distance) P-C4' energy: -175.446
flat angles C4'-P-C4' energy: -190.277
flat angles P-C4'-P energy: -130.784
tors. eta vs tors. theta energy: -240.572
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: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2766.523942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.523942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.501501 (E_RNA)
where:
Base-Base interactions energy: -1923.155
where: short stacking energy: -778.058
Base-Backbone interact. energy: 5.342
local terms energy: -850.688655
where:
bonds (distance) C4'-P energy: -163.099
bonds (distance) P-C4' energy: -158.105
flat angles C4'-P-C4' energy: -175.613
flat angles P-C4'-P energy: -119.955
tors. eta vs tors. theta energy: -233.917
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: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2592.728937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.728937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.104012 (E_RNA)
where:
Base-Base interactions energy: -1751.001
where: short stacking energy: -758.143
Base-Backbone interact. energy: -6.694
local terms energy: -836.408705
where:
bonds (distance) C4'-P energy: -168.281
bonds (distance) P-C4' energy: -151.064
flat angles C4'-P-C4' energy: -177.293
flat angles P-C4'-P energy: -118.262
tors. eta vs tors. theta energy: -221.508
Dist. restrs. and SS energy: 1.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2616.632989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.632989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.408446 (E_RNA)
where:
Base-Base interactions energy: -1794.875
where: short stacking energy: -771.265
Base-Backbone interact. energy: -4.701
local terms energy: -818.832596
where:
bonds (distance) C4'-P energy: -141.050
bonds (distance) P-C4' energy: -159.166
flat angles C4'-P-C4' energy: -169.774
flat angles P-C4'-P energy: -119.990
tors. eta vs tors. theta energy: -228.852
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2459.304138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.304138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.937893 (E_RNA)
where:
Base-Base interactions energy: -1700.230
where: short stacking energy: -713.071
Base-Backbone interact. energy: -0.065
local terms energy: -760.643329
where:
bonds (distance) C4'-P energy: -145.452
bonds (distance) P-C4' energy: -147.722
flat angles C4'-P-C4' energy: -164.510
flat angles P-C4'-P energy: -106.826
tors. eta vs tors. theta energy: -196.133
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: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2234.772365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.772365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.693729 (E_RNA)
where:
Base-Base interactions energy: -1492.545
where: short stacking energy: -634.079
Base-Backbone interact. energy: -1.570
local terms energy: -742.578339
where:
bonds (distance) C4'-P energy: -159.008
bonds (distance) P-C4' energy: -152.729
flat angles C4'-P-C4' energy: -162.835
flat angles P-C4'-P energy: -90.269
tors. eta vs tors. theta energy: -177.737
Dist. restrs. and SS energy: 1.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2121.358588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.358588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.693176 (E_RNA)
where:
Base-Base interactions energy: -1429.367
where: short stacking energy: -615.680
Base-Backbone interact. energy: 3.320
local terms energy: -697.646259
where:
bonds (distance) C4'-P energy: -136.635
bonds (distance) P-C4' energy: -126.932
flat angles C4'-P-C4' energy: -155.911
flat angles P-C4'-P energy: -110.960
tors. eta vs tors. theta energy: -167.208
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1989.182705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.182705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.343746 (E_RNA)
where:
Base-Base interactions energy: -1374.399
where: short stacking energy: -592.765
Base-Backbone interact. energy: 0.998
local terms energy: -617.942949
where:
bonds (distance) C4'-P energy: -124.198
bonds (distance) P-C4' energy: -141.267
flat angles C4'-P-C4' energy: -131.203
flat angles P-C4'-P energy: -83.051
tors. eta vs tors. theta energy: -138.224
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1930.988625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.988625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.221556 (E_RNA)
where:
Base-Base interactions energy: -1315.051
where: short stacking energy: -570.714
Base-Backbone interact. energy: 0.976
local terms energy: -621.146851
where:
bonds (distance) C4'-P energy: -139.673
bonds (distance) P-C4' energy: -146.493
flat angles C4'-P-C4' energy: -124.634
flat angles P-C4'-P energy: -72.380
tors. eta vs tors. theta energy: -137.966
Dist. restrs. and SS energy: 4.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1790.911704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.911704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.888085 (E_RNA)
where:
Base-Base interactions energy: -1228.055
where: short stacking energy: -503.049
Base-Backbone interact. energy: 7.865
local terms energy: -574.697990
where:
bonds (distance) C4'-P energy: -105.586
bonds (distance) P-C4' energy: -128.599
flat angles C4'-P-C4' energy: -133.580
flat angles P-C4'-P energy: -97.449
tors. eta vs tors. theta energy: -109.483
Dist. restrs. and SS energy: 3.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2944.101434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.101434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.844750 (E_RNA)
where:
Base-Base interactions energy: -2058.041
where: short stacking energy: -850.716
Base-Backbone interact. energy: -2.613
local terms energy: -884.190757
where:
bonds (distance) C4'-P energy: -160.182
bonds (distance) P-C4' energy: -168.929
flat angles C4'-P-C4' energy: -185.145
flat angles P-C4'-P energy: -124.368
tors. eta vs tors. theta energy: -245.567
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2811.832735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.832735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.435256 (E_RNA)
where:
Base-Base interactions energy: -1966.550
where: short stacking energy: -804.246
Base-Backbone interact. energy: -2.334
local terms energy: -844.550997
where:
bonds (distance) C4'-P energy: -140.042
bonds (distance) P-C4' energy: -144.773
flat angles C4'-P-C4' energy: -179.534
flat angles P-C4'-P energy: -137.069
tors. eta vs tors. theta energy: -243.133
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: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2626.010459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.010459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.871666 (E_RNA)
where:
Base-Base interactions energy: -1788.276
where: short stacking energy: -775.246
Base-Backbone interact. energy: -0.928
local terms energy: -838.667843
where:
bonds (distance) C4'-P energy: -155.220
bonds (distance) P-C4' energy: -154.527
flat angles C4'-P-C4' energy: -193.681
flat angles P-C4'-P energy: -111.808
tors. eta vs tors. theta energy: -223.432
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2627.725645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.725645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.260391 (E_RNA)
where:
Base-Base interactions energy: -1810.891
where: short stacking energy: -751.821
Base-Backbone interact. energy: 2.798
local terms energy: -822.167044
where:
bonds (distance) C4'-P energy: -150.578
bonds (distance) P-C4' energy: -157.374
flat angles C4'-P-C4' energy: -176.136
flat angles P-C4'-P energy: -119.143
tors. eta vs tors. theta energy: -218.935
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: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2449.277388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.277388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.005077 (E_RNA)
where:
Base-Base interactions energy: -1698.464
where: short stacking energy: -715.733
Base-Backbone interact. energy: 2.695
local terms energy: -754.236409
where:
bonds (distance) C4'-P energy: -115.898
bonds (distance) P-C4' energy: -143.323
flat angles C4'-P-C4' energy: -171.742
flat angles P-C4'-P energy: -112.702
tors. eta vs tors. theta energy: -210.572
Dist. restrs. and SS energy: 0.728 (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: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2265.546295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.546295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.699039 (E_RNA)
where:
Base-Base interactions energy: -1522.058
where: short stacking energy: -653.762
Base-Backbone interact. energy: 0.060
local terms energy: -747.700278
where:
bonds (distance) C4'-P energy: -136.729
bonds (distance) P-C4' energy: -161.450
flat angles C4'-P-C4' energy: -162.220
flat angles P-C4'-P energy: -110.262
tors. eta vs tors. theta energy: -177.039
Dist. restrs. and SS energy: 4.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2097.473557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.473557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.899829 (E_RNA)
where:
Base-Base interactions energy: -1446.776
where: short stacking energy: -627.383
Base-Backbone interact. energy: -3.337
local terms energy: -648.786724
where:
bonds (distance) C4'-P energy: -137.894
bonds (distance) P-C4' energy: -120.809
flat angles C4'-P-C4' energy: -157.738
flat angles P-C4'-P energy: -64.407
tors. eta vs tors. theta energy: -167.938
Dist. restrs. and SS energy: 1.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2008.723525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.944486 (E_RNA)
where:
Base-Base interactions energy: -1327.733
where: short stacking energy: -560.026
Base-Backbone interact. energy: -0.084
local terms energy: -683.127157
where:
bonds (distance) C4'-P energy: -150.428
bonds (distance) P-C4' energy: -128.456
flat angles C4'-P-C4' energy: -149.181
flat angles P-C4'-P energy: -99.882
tors. eta vs tors. theta energy: -155.180
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: 249
Temperature: 1.300000
Total energy: -1912.640069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.640069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.276936 (E_RNA)
where:
Base-Base interactions energy: -1263.394
where: short stacking energy: -521.140
Base-Backbone interact. energy: -2.071
local terms energy: -649.811886
where:
bonds (distance) C4'-P energy: -140.142
bonds (distance) P-C4' energy: -144.511
flat angles C4'-P-C4' energy: -142.160
flat angles P-C4'-P energy: -87.154
tors. eta vs tors. theta energy: -135.845
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1823.095200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.095200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.990469 (E_RNA)
where:
Base-Base interactions energy: -1256.163
where: short stacking energy: -519.694
Base-Backbone interact. energy: 0.017
local terms energy: -575.844314
where:
bonds (distance) C4'-P energy: -125.028
bonds (distance) P-C4' energy: -130.996
flat angles C4'-P-C4' energy: -125.527
flat angles P-C4'-P energy: -75.846
tors. eta vs tors. theta energy: -118.448
Dist. restrs. and SS energy: 8.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2975.766159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.766159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.070164 (E_RNA)
where:
Base-Base interactions energy: -2062.411
where: short stacking energy: -836.979
Base-Backbone interact. energy: 3.531
local terms energy: -918.190185
where:
bonds (distance) C4'-P energy: -161.170
bonds (distance) P-C4' energy: -160.737
flat angles C4'-P-C4' energy: -189.054
flat angles P-C4'-P energy: -147.341
tors. eta vs tors. theta energy: -259.888
Dist. restrs. and SS energy: 1.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2824.404407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.404407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.666902 (E_RNA)
where:
Base-Base interactions energy: -1957.285
where: short stacking energy: -824.366
Base-Backbone interact. energy: -2.817
local terms energy: -865.565366
where:
bonds (distance) C4'-P energy: -164.695
bonds (distance) P-C4' energy: -163.360
flat angles C4'-P-C4' energy: -170.356
flat angles P-C4'-P energy: -123.785
tors. eta vs tors. theta energy: -243.369
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2644.542939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.542939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.393964 (E_RNA)
where:
Base-Base interactions energy: -1819.609
where: short stacking energy: -784.790
Base-Backbone interact. energy: 3.031
local terms energy: -829.815236
where:
bonds (distance) C4'-P energy: -144.854
bonds (distance) P-C4' energy: -141.762
flat angles C4'-P-C4' energy: -175.793
flat angles P-C4'-P energy: -129.218
tors. eta vs tors. theta energy: -238.187
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: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2536.208260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.208260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.788156 (E_RNA)
where:
Base-Base interactions energy: -1736.188
where: short stacking energy: -736.718
Base-Backbone interact. energy: -5.066
local terms energy: -796.534242
where:
bonds (distance) C4'-P energy: -152.872
bonds (distance) P-C4' energy: -141.923
flat angles C4'-P-C4' energy: -177.564
flat angles P-C4'-P energy: -112.840
tors. eta vs tors. theta energy: -211.335
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2388.796115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.796115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.776868 (E_RNA)
where:
Base-Base interactions energy: -1627.800
where: short stacking energy: -686.468
Base-Backbone interact. energy: 1.731
local terms energy: -765.708213
where:
bonds (distance) C4'-P energy: -145.662
bonds (distance) P-C4' energy: -167.615
flat angles C4'-P-C4' energy: -152.851
flat angles P-C4'-P energy: -109.916
tors. eta vs tors. theta energy: -189.664
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: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2218.924597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.924597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.880336 (E_RNA)
where:
Base-Base interactions energy: -1533.681
where: short stacking energy: -636.478
Base-Backbone interact. energy: 5.125
local terms energy: -692.324335
where:
bonds (distance) C4'-P energy: -143.654
bonds (distance) P-C4' energy: -135.141
flat angles C4'-P-C4' energy: -156.168
flat angles P-C4'-P energy: -88.252
tors. eta vs tors. theta energy: -169.109
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2105.660397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.660397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.027052 (E_RNA)
where:
Base-Base interactions energy: -1415.656
where: short stacking energy: -621.782
Base-Backbone interact. energy: 5.617
local terms energy: -697.987387
where:
bonds (distance) C4'-P energy: -133.816
bonds (distance) P-C4' energy: -137.556
flat angles C4'-P-C4' energy: -172.441
flat angles P-C4'-P energy: -99.587
tors. eta vs tors. theta energy: -154.587
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: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1951.474951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.474951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.005760 (E_RNA)
where:
Base-Base interactions energy: -1354.662
where: short stacking energy: -568.460
Base-Backbone interact. energy: -0.002
local terms energy: -599.341227
where:
bonds (distance) C4'-P energy: -135.405
bonds (distance) P-C4' energy: -116.851
flat angles C4'-P-C4' energy: -142.299
flat angles P-C4'-P energy: -73.555
tors. eta vs tors. theta energy: -131.231
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1879.720656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.720656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.682173 (E_RNA)
where:
Base-Base interactions energy: -1294.386
where: short stacking energy: -531.307
Base-Backbone interact. energy: 3.008
local terms energy: -596.303904
where:
bonds (distance) C4'-P energy: -127.342
bonds (distance) P-C4' energy: -118.835
flat angles C4'-P-C4' energy: -140.918
flat angles P-C4'-P energy: -78.400
tors. eta vs tors. theta energy: -130.809
Dist. restrs. and SS energy: 7.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1861.127413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.127413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.943559 (E_RNA)
where:
Base-Base interactions energy: -1278.083
where: short stacking energy: -506.966
Base-Backbone interact. energy: -0.769
local terms energy: -588.091275
where:
bonds (distance) C4'-P energy: -133.710
bonds (distance) P-C4' energy: -111.424
flat angles C4'-P-C4' energy: -139.910
flat angles P-C4'-P energy: -75.725
tors. eta vs tors. theta energy: -127.321
Dist. restrs. and SS energy: 5.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2946.605834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.605834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.872460 (E_RNA)
where:
Base-Base interactions energy: -2070.597
where: short stacking energy: -870.416
Base-Backbone interact. energy: 3.791
local terms energy: -881.066759
where:
bonds (distance) C4'-P energy: -164.443
bonds (distance) P-C4' energy: -155.646
flat angles C4'-P-C4' energy: -183.032
flat angles P-C4'-P energy: -120.280
tors. eta vs tors. theta energy: -257.666
Dist. restrs. and SS energy: 1.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2793.687256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.687256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.036209 (E_RNA)
where:
Base-Base interactions energy: -1947.013
where: short stacking energy: -798.211
Base-Backbone interact. energy: -2.576
local terms energy: -846.447773
where:
bonds (distance) C4'-P energy: -151.362
bonds (distance) P-C4' energy: -162.543
flat angles C4'-P-C4' energy: -172.965
flat angles P-C4'-P energy: -123.428
tors. eta vs tors. theta energy: -236.149
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2658.176565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.176565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.660590 (E_RNA)
where:
Base-Base interactions energy: -1834.031
where: short stacking energy: -770.270
Base-Backbone interact. energy: 3.979
local terms energy: -829.608714
where:
bonds (distance) C4'-P energy: -155.977
bonds (distance) P-C4' energy: -131.670
flat angles C4'-P-C4' energy: -178.304
flat angles P-C4'-P energy: -120.697
tors. eta vs tors. theta energy: -242.961
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2550.360446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.360446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.300484 (E_RNA)
where:
Base-Base interactions energy: -1710.231
where: short stacking energy: -765.081
Base-Backbone interact. energy: -0.494
local terms energy: -841.575581
where:
bonds (distance) C4'-P energy: -142.701
bonds (distance) P-C4' energy: -166.777
flat angles C4'-P-C4' energy: -176.042
flat angles P-C4'-P energy: -123.443
tors. eta vs tors. theta energy: -232.612
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: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2396.253552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.253552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.707381 (E_RNA)
where:
Base-Base interactions energy: -1622.663
where: short stacking energy: -689.606
Base-Backbone interact. energy: 4.025
local terms energy: -779.069974
where:
bonds (distance) C4'-P energy: -148.840
bonds (distance) P-C4' energy: -156.051
flat angles C4'-P-C4' energy: -175.574
flat angles P-C4'-P energy: -113.973
tors. eta vs tors. theta energy: -184.632
Dist. restrs. and SS energy: 1.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2301.494323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.494323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.954540 (E_RNA)
where:
Base-Base interactions energy: -1536.214
where: short stacking energy: -676.356
Base-Backbone interact. energy: 0.074
local terms energy: -767.814855
where:
bonds (distance) C4'-P energy: -143.800
bonds (distance) P-C4' energy: -148.143
flat angles C4'-P-C4' energy: -180.930
flat angles P-C4'-P energy: -102.737
tors. eta vs tors. theta energy: -192.205
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: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2134.167553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.167553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.701814 (E_RNA)
where:
Base-Base interactions energy: -1427.776
where: short stacking energy: -587.051
Base-Backbone interact. energy: -3.674
local terms energy: -706.251775
where:
bonds (distance) C4'-P energy: -150.435
bonds (distance) P-C4' energy: -130.675
flat angles C4'-P-C4' energy: -165.146
flat angles P-C4'-P energy: -101.031
tors. eta vs tors. theta energy: -158.964
Dist. restrs. and SS energy: 3.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1993.700346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.700346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.056867 (E_RNA)
where:
Base-Base interactions energy: -1349.125
where: short stacking energy: -567.051
Base-Backbone interact. energy: 2.211
local terms energy: -649.142983
where:
bonds (distance) C4'-P energy: -141.548
bonds (distance) P-C4' energy: -150.858
flat angles C4'-P-C4' energy: -145.654
flat angles P-C4'-P energy: -75.868
tors. eta vs tors. theta energy: -135.215
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: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1938.056188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.056188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.316885 (E_RNA)
where:
Base-Base interactions energy: -1309.776
where: short stacking energy: -532.628
Base-Backbone interact. energy: 8.062
local terms energy: -639.602261
where:
bonds (distance) C4'-P energy: -127.106
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -148.874
flat angles P-C4'-P energy: -97.808
tors. eta vs tors. theta energy: -136.749
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1851.694479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.694479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.508283 (E_RNA)
where:
Base-Base interactions energy: -1266.781
where: short stacking energy: -528.851
Base-Backbone interact. energy: 0.886
local terms energy: -589.613065
where:
bonds (distance) C4'-P energy: -137.384
bonds (distance) P-C4' energy: -123.692
flat angles C4'-P-C4' energy: -121.417
flat angles P-C4'-P energy: -81.848
tors. eta vs tors. theta energy: -125.271
Dist. restrs. and SS energy: 3.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2932.628282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.628282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.419933 (E_RNA)
where:
Base-Base interactions energy: -2080.785
where: short stacking energy: -853.897
Base-Backbone interact. energy: 1.714
local terms energy: -855.348677
where:
bonds (distance) C4'-P energy: -154.355
bonds (distance) P-C4' energy: -151.962
flat angles C4'-P-C4' energy: -189.175
flat angles P-C4'-P energy: -108.857
tors. eta vs tors. theta energy: -251.000
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: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2857.858034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.858034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.168361 (E_RNA)
where:
Base-Base interactions energy: -1975.227
where: short stacking energy: -849.758
Base-Backbone interact. energy: -0.123
local terms energy: -884.817790
where:
bonds (distance) C4'-P energy: -170.682
bonds (distance) P-C4' energy: -157.441
flat angles C4'-P-C4' energy: -186.837
flat angles P-C4'-P energy: -124.123
tors. eta vs tors. theta energy: -245.736
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: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2638.621862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.621862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.811070 (E_RNA)
where:
Base-Base interactions energy: -1825.820
where: short stacking energy: -775.784
Base-Backbone interact. energy: 3.781
local terms energy: -817.772095
where:
bonds (distance) C4'-P energy: -146.753
bonds (distance) P-C4' energy: -157.654
flat angles C4'-P-C4' energy: -171.897
flat angles P-C4'-P energy: -112.611
tors. eta vs tors. theta energy: -228.858
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2466.738280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.738280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.965498 (E_RNA)
where:
Base-Base interactions energy: -1671.997
where: short stacking energy: -743.948
Base-Backbone interact. energy: 7.047
local terms energy: -804.015836
where:
bonds (distance) C4'-P energy: -145.808
bonds (distance) P-C4' energy: -153.947
flat angles C4'-P-C4' energy: -188.939
flat angles P-C4'-P energy: -97.255
tors. eta vs tors. theta energy: -218.068
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2401.690282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.690282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.397474 (E_RNA)
where:
Base-Base interactions energy: -1647.988
where: short stacking energy: -684.869
Base-Backbone interact. energy: 2.364
local terms energy: -757.773519
where:
bonds (distance) C4'-P energy: -151.398
bonds (distance) P-C4' energy: -139.748
flat angles C4'-P-C4' energy: -150.937
flat angles P-C4'-P energy: -106.148
tors. eta vs tors. theta energy: -209.543
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2322.251920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.251920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.744483 (E_RNA)
where:
Base-Base interactions energy: -1601.449
where: short stacking energy: -664.714
Base-Backbone interact. energy: 0.007
local terms energy: -722.303292
where:
bonds (distance) C4'-P energy: -137.420
bonds (distance) P-C4' energy: -147.159
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -103.454
tors. eta vs tors. theta energy: -182.728
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2146.097868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.097868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.912336 (E_RNA)
where:
Base-Base interactions energy: -1451.847
where: short stacking energy: -639.029
Base-Backbone interact. energy: 8.760
local terms energy: -704.825335
where:
bonds (distance) C4'-P energy: -128.805
bonds (distance) P-C4' energy: -140.212
flat angles C4'-P-C4' energy: -145.383
flat angles P-C4'-P energy: -111.676
tors. eta vs tors. theta energy: -178.750
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2015.667459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.667459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.858924 (E_RNA)
where:
Base-Base interactions energy: -1341.208
where: short stacking energy: -584.635
Base-Backbone interact. energy: 9.487
local terms energy: -687.137765
where:
bonds (distance) C4'-P energy: -121.348
bonds (distance) P-C4' energy: -147.618
flat angles C4'-P-C4' energy: -148.365
flat angles P-C4'-P energy: -109.205
tors. eta vs tors. theta energy: -160.603
Dist. restrs. and SS energy: 3.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1919.068400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.068400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.486478 (E_RNA)
where:
Base-Base interactions energy: -1293.248
where: short stacking energy: -547.117
Base-Backbone interact. energy: 3.162
local terms energy: -634.399995
where:
bonds (distance) C4'-P energy: -126.736
bonds (distance) P-C4' energy: -136.648
flat angles C4'-P-C4' energy: -154.947
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -139.838
Dist. restrs. and SS energy: 5.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1885.975180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.975180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.762350 (E_RNA)
where:
Base-Base interactions energy: -1261.152
where: short stacking energy: -549.050
Base-Backbone interact. energy: 1.269
local terms energy: -627.879495
where:
bonds (distance) C4'-P energy: -128.985
bonds (distance) P-C4' energy: -115.204
flat angles C4'-P-C4' energy: -143.486
flat angles P-C4'-P energy: -102.809
tors. eta vs tors. theta energy: -137.397
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2916.704843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.704843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.792434 (E_RNA)
where:
Base-Base interactions energy: -2019.733
where: short stacking energy: -846.252
Base-Backbone interact. energy: -2.416
local terms energy: -895.644087
where:
bonds (distance) C4'-P energy: -166.267
bonds (distance) P-C4' energy: -173.046
flat angles C4'-P-C4' energy: -183.418
flat angles P-C4'-P energy: -115.608
tors. eta vs tors. theta energy: -257.305
Dist. restrs. and SS energy: 1.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2833.733945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.733945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.343937 (E_RNA)
where:
Base-Base interactions energy: -1958.857
where: short stacking energy: -827.013
Base-Backbone interact. energy: -0.854
local terms energy: -876.632907
where:
bonds (distance) C4'-P energy: -170.955
bonds (distance) P-C4' energy: -153.077
flat angles C4'-P-C4' energy: -193.098
flat angles P-C4'-P energy: -114.592
tors. eta vs tors. theta energy: -244.911
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: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2631.476797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.476797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.995032 (E_RNA)
where:
Base-Base interactions energy: -1810.485
where: short stacking energy: -783.264
Base-Backbone interact. energy: -2.308
local terms energy: -820.202488
where:
bonds (distance) C4'-P energy: -146.459
bonds (distance) P-C4' energy: -157.516
flat angles C4'-P-C4' energy: -180.560
flat angles P-C4'-P energy: -103.550
tors. eta vs tors. theta energy: -232.117
Dist. restrs. and SS energy: 1.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2498.258041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.258041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.195350 (E_RNA)
where:
Base-Base interactions energy: -1702.488
where: short stacking energy: -736.114
Base-Backbone interact. energy: 0.004
local terms energy: -798.710666
where:
bonds (distance) C4'-P energy: -140.558
bonds (distance) P-C4' energy: -154.565
flat angles C4'-P-C4' energy: -171.338
flat angles P-C4'-P energy: -111.323
tors. eta vs tors. theta energy: -220.926
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: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2416.270005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.270005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.663022 (E_RNA)
where:
Base-Base interactions energy: -1622.278
where: short stacking energy: -701.475
Base-Backbone interact. energy: -0.276
local terms energy: -795.108905
where:
bonds (distance) C4'-P energy: -158.098
bonds (distance) P-C4' energy: -160.042
flat angles C4'-P-C4' energy: -175.314
flat angles P-C4'-P energy: -100.939
tors. eta vs tors. theta energy: -200.717
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: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2272.383072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.383072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.620112 (E_RNA)
where:
Base-Base interactions energy: -1566.979
where: short stacking energy: -692.875
Base-Backbone interact. energy: -3.214
local terms energy: -705.426885
where:
bonds (distance) C4'-P energy: -131.624
bonds (distance) P-C4' energy: -130.701
flat angles C4'-P-C4' energy: -160.139
flat angles P-C4'-P energy: -107.155
tors. eta vs tors. theta energy: -175.808
Dist. restrs. and SS energy: 3.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2149.590872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.590872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.608823 (E_RNA)
where:
Base-Base interactions energy: -1445.055
where: short stacking energy: -622.560
Base-Backbone interact. energy: -1.296
local terms energy: -705.257235
where:
bonds (distance) C4'-P energy: -138.753
bonds (distance) P-C4' energy: -129.022
flat angles C4'-P-C4' energy: -155.755
flat angles P-C4'-P energy: -110.371
tors. eta vs tors. theta energy: -171.356
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: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2004.346934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.346934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.933601 (E_RNA)
where:
Base-Base interactions energy: -1357.003
where: short stacking energy: -562.048
Base-Backbone interact. energy: -0.738
local terms energy: -649.192935
where:
bonds (distance) C4'-P energy: -125.700
bonds (distance) P-C4' energy: -142.061
flat angles C4'-P-C4' energy: -146.059
flat angles P-C4'-P energy: -71.310
tors. eta vs tors. theta energy: -164.063
Dist. restrs. and SS energy: 2.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1964.312895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.312895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.898261 (E_RNA)
where:
Base-Base interactions energy: -1321.529
where: short stacking energy: -549.925
Base-Backbone interact. energy: -0.693
local terms energy: -643.675796
where:
bonds (distance) C4'-P energy: -139.121
bonds (distance) P-C4' energy: -134.269
flat angles C4'-P-C4' energy: -130.700
flat angles P-C4'-P energy: -88.959
tors. eta vs tors. theta energy: -150.627
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: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1846.969199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.969199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.789867 (E_RNA)
where:
Base-Base interactions energy: -1212.708
where: short stacking energy: -520.352
Base-Backbone interact. energy: -1.824
local terms energy: -636.257011
where:
bonds (distance) C4'-P energy: -129.890
bonds (distance) P-C4' energy: -134.072
flat angles C4'-P-C4' energy: -154.135
flat angles P-C4'-P energy: -91.835
tors. eta vs tors. theta energy: -126.326
Dist. restrs. and SS energy: 3.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2921.739667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.739667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.632943 (E_RNA)
where:
Base-Base interactions energy: -2025.328
where: short stacking energy: -842.375
Base-Backbone interact. energy: -3.472
local terms energy: -894.832910
where:
bonds (distance) C4'-P energy: -154.695
bonds (distance) P-C4' energy: -170.212
flat angles C4'-P-C4' energy: -189.523
flat angles P-C4'-P energy: -126.594
tors. eta vs tors. theta energy: -253.808
Dist. restrs. and SS energy: 1.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2796.337417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.337417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.118586 (E_RNA)
where:
Base-Base interactions energy: -1936.939
where: short stacking energy: -798.118
Base-Backbone interact. energy: 0.342
local terms energy: -861.521168
where:
bonds (distance) C4'-P energy: -159.893
bonds (distance) P-C4' energy: -158.522
flat angles C4'-P-C4' energy: -184.040
flat angles P-C4'-P energy: -125.101
tors. eta vs tors. theta energy: -233.966
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: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2641.458338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.458338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.858182 (E_RNA)
where:
Base-Base interactions energy: -1804.738
where: short stacking energy: -787.329
Base-Backbone interact. energy: -2.692
local terms energy: -836.428136
where:
bonds (distance) C4'-P energy: -143.624
bonds (distance) P-C4' energy: -157.481
flat angles C4'-P-C4' energy: -187.574
flat angles P-C4'-P energy: -121.921
tors. eta vs tors. theta energy: -225.828
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2498.629961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.629961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.171025 (E_RNA)
where:
Base-Base interactions energy: -1690.656
where: short stacking energy: -733.636
Base-Backbone interact. energy: -1.880
local terms energy: -808.634376
where:
bonds (distance) C4'-P energy: -155.337
bonds (distance) P-C4' energy: -164.659
flat angles C4'-P-C4' energy: -165.220
flat angles P-C4'-P energy: -95.914
tors. eta vs tors. theta energy: -227.504
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: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2424.960938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.960938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.926606 (E_RNA)
where:
Base-Base interactions energy: -1691.779
where: short stacking energy: -745.446
Base-Backbone interact. energy: -2.259
local terms energy: -732.888746
where:
bonds (distance) C4'-P energy: -127.027
bonds (distance) P-C4' energy: -130.285
flat angles C4'-P-C4' energy: -163.984
flat angles P-C4'-P energy: -97.827
tors. eta vs tors. theta energy: -213.765
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: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2235.653818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.653818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.143314 (E_RNA)
where:
Base-Base interactions energy: -1545.249
where: short stacking energy: -647.816
Base-Backbone interact. energy: -0.382
local terms energy: -692.512779
where:
bonds (distance) C4'-P energy: -127.472
bonds (distance) P-C4' energy: -140.380
flat angles C4'-P-C4' energy: -140.533
flat angles P-C4'-P energy: -95.609
tors. eta vs tors. theta energy: -188.519
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: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2156.123109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.123109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.062412 (E_RNA)
where:
Base-Base interactions energy: -1455.691
where: short stacking energy: -631.414
Base-Backbone interact. energy: 1.242
local terms energy: -704.613656
where:
bonds (distance) C4'-P energy: -137.522
bonds (distance) P-C4' energy: -139.324
flat angles C4'-P-C4' energy: -162.713
flat angles P-C4'-P energy: -105.584
tors. eta vs tors. theta energy: -159.470
Dist. restrs. and SS energy: 2.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1998.713466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.713466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.711746 (E_RNA)
where:
Base-Base interactions energy: -1385.888
where: short stacking energy: -572.713
Base-Backbone interact. energy: 5.828
local terms energy: -621.651549
where:
bonds (distance) C4'-P energy: -128.317
bonds (distance) P-C4' energy: -115.495
flat angles C4'-P-C4' energy: -166.387
flat angles P-C4'-P energy: -80.260
tors. eta vs tors. theta energy: -131.193
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1935.268995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.268995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.472738 (E_RNA)
where:
Base-Base interactions energy: -1310.220
where: short stacking energy: -557.737
Base-Backbone interact. energy: 3.710
local terms energy: -630.962628
where:
bonds (distance) C4'-P energy: -100.987
bonds (distance) P-C4' energy: -134.540
flat angles C4'-P-C4' energy: -155.424
flat angles P-C4'-P energy: -97.489
tors. eta vs tors. theta energy: -142.522
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: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1768.055009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.055009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.395764 (E_RNA)
where:
Base-Base interactions energy: -1202.715
where: short stacking energy: -481.094
Base-Backbone interact. energy: 1.126
local terms energy: -577.806824
where:
bonds (distance) C4'-P energy: -117.124
bonds (distance) P-C4' energy: -119.557
flat angles C4'-P-C4' energy: -123.774
flat angles P-C4'-P energy: -99.905
tors. eta vs tors. theta energy: -117.447
Dist. restrs. and SS energy: 11.341 (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: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2907.681440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.681440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.109946 (E_RNA)
where:
Base-Base interactions energy: -2048.055
where: short stacking energy: -842.438
Base-Backbone interact. energy: -2.616
local terms energy: -858.438642
where:
bonds (distance) C4'-P energy: -157.205
bonds (distance) P-C4' energy: -157.598
flat angles C4'-P-C4' energy: -181.397
flat angles P-C4'-P energy: -112.551
tors. eta vs tors. theta energy: -249.687
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2774.795077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.795077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.376398 (E_RNA)
where:
Base-Base interactions energy: -1920.585
where: short stacking energy: -809.870
Base-Backbone interact. energy: -3.558
local terms energy: -852.233680
where:
bonds (distance) C4'-P energy: -172.191
bonds (distance) P-C4' energy: -147.861
flat angles C4'-P-C4' energy: -172.083
flat angles P-C4'-P energy: -126.033
tors. eta vs tors. theta energy: -234.066
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2691.208880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.208880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.533097 (E_RNA)
where:
Base-Base interactions energy: -1836.695
where: short stacking energy: -789.112
Base-Backbone interact. energy: 3.900
local terms energy: -859.737692
where:
bonds (distance) C4'-P energy: -160.820
bonds (distance) P-C4' energy: -163.924
flat angles C4'-P-C4' energy: -171.368
flat angles P-C4'-P energy: -129.017
tors. eta vs tors. theta energy: -234.608
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2507.430649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.430649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.714770 (E_RNA)
where:
Base-Base interactions energy: -1704.833
where: short stacking energy: -738.371
Base-Backbone interact. energy: -3.150
local terms energy: -801.731391
where:
bonds (distance) C4'-P energy: -162.890
bonds (distance) P-C4' energy: -174.258
flat angles C4'-P-C4' energy: -184.265
flat angles P-C4'-P energy: -67.549
tors. eta vs tors. theta energy: -212.769
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: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2403.814499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.814499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.763596 (E_RNA)
where:
Base-Base interactions energy: -1661.078
where: short stacking energy: -690.529
Base-Backbone interact. energy: -2.448
local terms energy: -742.237950
where:
bonds (distance) C4'-P energy: -130.438
bonds (distance) P-C4' energy: -142.941
flat angles C4'-P-C4' energy: -148.263
flat angles P-C4'-P energy: -112.434
tors. eta vs tors. theta energy: -208.163
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: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2265.024577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.024577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.336064 (E_RNA)
where:
Base-Base interactions energy: -1556.887
where: short stacking energy: -661.458
Base-Backbone interact. energy: -0.072
local terms energy: -710.376823
where:
bonds (distance) C4'-P energy: -142.428
bonds (distance) P-C4' energy: -130.300
flat angles C4'-P-C4' energy: -144.987
flat angles P-C4'-P energy: -105.003
tors. eta vs tors. theta energy: -187.659
Dist. restrs. and SS energy: 2.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2102.597571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.597571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.026925 (E_RNA)
where:
Base-Base interactions energy: -1429.399
where: short stacking energy: -599.912
Base-Backbone interact. energy: 7.835
local terms energy: -684.463175
where:
bonds (distance) C4'-P energy: -148.481
bonds (distance) P-C4' energy: -130.168
flat angles C4'-P-C4' energy: -153.479
flat angles P-C4'-P energy: -94.586
tors. eta vs tors. theta energy: -157.749
Dist. restrs. and SS energy: 3.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2000.536693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.536693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.626361 (E_RNA)
where:
Base-Base interactions energy: -1349.943
where: short stacking energy: -548.039
Base-Backbone interact. energy: 2.777
local terms energy: -655.460665
where:
bonds (distance) C4'-P energy: -131.414
bonds (distance) P-C4' energy: -145.655
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -91.737
tors. eta vs tors. theta energy: -137.528
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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1921.258233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.258233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.372399 (E_RNA)
where:
Base-Base interactions energy: -1272.546
where: short stacking energy: -564.599
Base-Backbone interact. energy: 0.418
local terms energy: -652.244190
where:
bonds (distance) C4'-P energy: -116.921
bonds (distance) P-C4' energy: -135.993
flat angles C4'-P-C4' energy: -162.998
flat angles P-C4'-P energy: -94.358
tors. eta vs tors. theta energy: -141.974
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: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1800.041004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.041004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.728781 (E_RNA)
where:
Base-Base interactions energy: -1217.875
where: short stacking energy: -511.946
Base-Backbone interact. energy: -0.027
local terms energy: -591.827144
where:
bonds (distance) C4'-P energy: -130.849
bonds (distance) P-C4' energy: -127.945
flat angles C4'-P-C4' energy: -142.626
flat angles P-C4'-P energy: -80.443
tors. eta vs tors. theta energy: -109.963
Dist. restrs. and SS energy: 9.688 (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: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2907.311229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.311229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.676631 (E_RNA)
where:
Base-Base interactions energy: -2031.576
where: short stacking energy: -843.674
Base-Backbone interact. energy: -4.439
local terms energy: -872.661481
where:
bonds (distance) C4'-P energy: -157.062
bonds (distance) P-C4' energy: -148.845
flat angles C4'-P-C4' energy: -200.747
flat angles P-C4'-P energy: -124.577
tors. eta vs tors. theta energy: -241.430
Dist. restrs. and SS energy: 1.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2782.149510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.149510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.007694 (E_RNA)
where:
Base-Base interactions energy: -1943.370
where: short stacking energy: -781.260
Base-Backbone interact. energy: -1.530
local terms energy: -839.107795
where:
bonds (distance) C4'-P energy: -147.273
bonds (distance) P-C4' energy: -159.481
flat angles C4'-P-C4' energy: -182.642
flat angles P-C4'-P energy: -130.809
tors. eta vs tors. theta energy: -218.903
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2679.317192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.317192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.435987 (E_RNA)
where:
Base-Base interactions energy: -1830.763
where: short stacking energy: -800.519
Base-Backbone interact. energy: 3.762
local terms energy: -855.435398
where:
bonds (distance) C4'-P energy: -144.889
bonds (distance) P-C4' energy: -168.215
flat angles C4'-P-C4' energy: -180.778
flat angles P-C4'-P energy: -116.613
tors. eta vs tors. theta energy: -244.940
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: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2498.368936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.368936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.195607 (E_RNA)
where:
Base-Base interactions energy: -1695.151
where: short stacking energy: -739.593
Base-Backbone interact. energy: 2.897
local terms energy: -807.941337
where:
bonds (distance) C4'-P energy: -146.265
bonds (distance) P-C4' energy: -166.221
flat angles C4'-P-C4' energy: -173.313
flat angles P-C4'-P energy: -93.702
tors. eta vs tors. theta energy: -228.440
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: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2427.426567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.426567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.444139 (E_RNA)
where:
Base-Base interactions energy: -1664.163
where: short stacking energy: -710.354
Base-Backbone interact. energy: -5.183
local terms energy: -762.098680
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -148.316
flat angles C4'-P-C4' energy: -176.405
flat angles P-C4'-P energy: -108.251
tors. eta vs tors. theta energy: -193.679
Dist. restrs. and SS energy: 4.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2246.920435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.920435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.231908 (E_RNA)
where:
Base-Base interactions energy: -1540.358
where: short stacking energy: -642.581
Base-Backbone interact. energy: 4.157
local terms energy: -713.030660
where:
bonds (distance) C4'-P energy: -136.723
bonds (distance) P-C4' energy: -151.508
flat angles C4'-P-C4' energy: -148.485
flat angles P-C4'-P energy: -99.793
tors. eta vs tors. theta energy: -176.522
Dist. restrs. and SS energy: 2.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2067.735263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.735263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.996425 (E_RNA)
where:
Base-Base interactions energy: -1386.739
where: short stacking energy: -611.272
Base-Backbone interact. energy: 3.619
local terms energy: -687.876803
where:
bonds (distance) C4'-P energy: -138.016
bonds (distance) P-C4' energy: -151.335
flat angles C4'-P-C4' energy: -162.361
flat angles P-C4'-P energy: -81.885
tors. eta vs tors. theta energy: -154.279
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2020.587961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.587961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.508876 (E_RNA)
where:
Base-Base interactions energy: -1380.939
where: short stacking energy: -587.604
Base-Backbone interact. energy: -1.641
local terms energy: -640.928716
where:
bonds (distance) C4'-P energy: -118.962
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -144.819
flat angles P-C4'-P energy: -99.560
tors. eta vs tors. theta energy: -141.483
Dist. restrs. and SS energy: 2.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1967.509728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.509728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.942554 (E_RNA)
where:
Base-Base interactions energy: -1337.314
where: short stacking energy: -572.113
Base-Backbone interact. energy: -0.242
local terms energy: -632.386533
where:
bonds (distance) C4'-P energy: -129.927
bonds (distance) P-C4' energy: -129.840
flat angles C4'-P-C4' energy: -153.640
flat angles P-C4'-P energy: -68.949
tors. eta vs tors. theta energy: -150.031
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: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1795.623243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.623243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.592329 (E_RNA)
where:
Base-Base interactions energy: -1229.687
where: short stacking energy: -512.571
Base-Backbone interact. energy: 1.178
local terms energy: -574.083067
where:
bonds (distance) C4'-P energy: -119.884
bonds (distance) P-C4' energy: -125.029
flat angles C4'-P-C4' energy: -125.306
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -127.654
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: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2913.382499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.382499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.262933 (E_RNA)
where:
Base-Base interactions energy: -2039.153
where: short stacking energy: -850.606
Base-Backbone interact. energy: 4.724
local terms energy: -880.833525
where:
bonds (distance) C4'-P energy: -149.980
bonds (distance) P-C4' energy: -166.237
flat angles C4'-P-C4' energy: -183.189
flat angles P-C4'-P energy: -130.896
tors. eta vs tors. theta energy: -250.532
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: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2795.098288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.098288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.110446 (E_RNA)
where:
Base-Base interactions energy: -1925.354
where: short stacking energy: -789.535
Base-Backbone interact. energy: -3.460
local terms energy: -868.296329
where:
bonds (distance) C4'-P energy: -156.704
bonds (distance) P-C4' energy: -174.636
flat angles C4'-P-C4' energy: -179.954
flat angles P-C4'-P energy: -120.879
tors. eta vs tors. theta energy: -236.123
Dist. restrs. and SS energy: 2.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2652.684628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.684628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.540497 (E_RNA)
where:
Base-Base interactions energy: -1822.239
where: short stacking energy: -781.035
Base-Backbone interact. energy: 4.660
local terms energy: -837.961292
where:
bonds (distance) C4'-P energy: -159.310
bonds (distance) P-C4' energy: -166.893
flat angles C4'-P-C4' energy: -176.678
flat angles P-C4'-P energy: -109.788
tors. eta vs tors. theta energy: -225.293
Dist. restrs. and SS energy: 2.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2514.920521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.920521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.497542 (E_RNA)
where:
Base-Base interactions energy: -1694.506
where: short stacking energy: -753.191
Base-Backbone interact. energy: 0.630
local terms energy: -822.621608
where:
bonds (distance) C4'-P energy: -165.596
bonds (distance) P-C4' energy: -147.816
flat angles C4'-P-C4' energy: -169.161
flat angles P-C4'-P energy: -117.423
tors. eta vs tors. theta energy: -222.626
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2435.900983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.900983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.816350 (E_RNA)
where:
Base-Base interactions energy: -1663.109
where: short stacking energy: -726.381
Base-Backbone interact. energy: -0.933
local terms energy: -774.773984
where:
bonds (distance) C4'-P energy: -139.522
bonds (distance) P-C4' energy: -153.646
flat angles C4'-P-C4' energy: -163.679
flat angles P-C4'-P energy: -113.801
tors. eta vs tors. theta energy: -204.127
Dist. restrs. and SS energy: 2.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2272.666182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.666182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.396585 (E_RNA)
where:
Base-Base interactions energy: -1531.999
where: short stacking energy: -659.812
Base-Backbone interact. energy: -1.881
local terms energy: -741.516750
where:
bonds (distance) C4'-P energy: -144.249
bonds (distance) P-C4' energy: -144.107
flat angles C4'-P-C4' energy: -159.465
flat angles P-C4'-P energy: -115.454
tors. eta vs tors. theta energy: -178.241
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: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2115.542224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.542224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.083217 (E_RNA)
where:
Base-Base interactions energy: -1444.582
where: short stacking energy: -629.909
Base-Backbone interact. energy: -1.523
local terms energy: -671.977666
where:
bonds (distance) C4'-P energy: -132.550
bonds (distance) P-C4' energy: -144.733
flat angles C4'-P-C4' energy: -139.768
flat angles P-C4'-P energy: -97.753
tors. eta vs tors. theta energy: -157.173
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -2005.491512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.491512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.304941 (E_RNA)
where:
Base-Base interactions energy: -1351.866
where: short stacking energy: -578.514
Base-Backbone interact. energy: 0.516
local terms energy: -656.955151
where:
bonds (distance) C4'-P energy: -121.453
bonds (distance) P-C4' energy: -141.902
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -88.444
tors. eta vs tors. theta energy: -156.030
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: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1977.996759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.996759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.952588 (E_RNA)
where:
Base-Base interactions energy: -1315.583
where: short stacking energy: -565.503
Base-Backbone interact. energy: -3.199
local terms energy: -662.170741
where:
bonds (distance) C4'-P energy: -126.223
bonds (distance) P-C4' energy: -122.977
flat angles C4'-P-C4' energy: -152.589
flat angles P-C4'-P energy: -93.098
tors. eta vs tors. theta energy: -167.283
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: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1866.639998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.639998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.479606 (E_RNA)
where:
Base-Base interactions energy: -1279.462
where: short stacking energy: -532.843
Base-Backbone interact. energy: 0.669
local terms energy: -592.686094
where:
bonds (distance) C4'-P energy: -120.198
bonds (distance) P-C4' energy: -131.332
flat angles C4'-P-C4' energy: -138.735
flat angles P-C4'-P energy: -78.817
tors. eta vs tors. theta energy: -123.604
Dist. restrs. and SS energy: 4.840 (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: 258
Temperature: 0.900000
Total energy: -2898.805247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.805247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.191809 (E_RNA)
where:
Base-Base interactions energy: -2014.032
where: short stacking energy: -842.611
Base-Backbone interact. energy: -4.801
local terms energy: -881.359520
where:
bonds (distance) C4'-P energy: -166.876
bonds (distance) P-C4' energy: -159.384
flat angles C4'-P-C4' energy: -188.133
flat angles P-C4'-P energy: -123.117
tors. eta vs tors. theta energy: -243.850
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2793.577049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.577049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.989469 (E_RNA)
where:
Base-Base interactions energy: -1953.464
where: short stacking energy: -813.675
Base-Backbone interact. energy: -0.650
local terms energy: -840.875497
where:
bonds (distance) C4'-P energy: -165.473
bonds (distance) P-C4' energy: -153.144
flat angles C4'-P-C4' energy: -185.077
flat angles P-C4'-P energy: -104.398
tors. eta vs tors. theta energy: -232.784
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2678.308836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.308836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.524377 (E_RNA)
where:
Base-Base interactions energy: -1832.413
where: short stacking energy: -793.986
Base-Backbone interact. energy: 1.891
local terms energy: -850.001999
where:
bonds (distance) C4'-P energy: -141.323
bonds (distance) P-C4' energy: -163.341
flat angles C4'-P-C4' energy: -188.490
flat angles P-C4'-P energy: -110.991
tors. eta vs tors. theta energy: -245.857
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: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2547.914132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.914132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.203491 (E_RNA)
where:
Base-Base interactions energy: -1731.470
where: short stacking energy: -741.583
Base-Backbone interact. energy: 0.909
local terms energy: -819.642598
where:
bonds (distance) C4'-P energy: -147.201
bonds (distance) P-C4' energy: -158.816
flat angles C4'-P-C4' energy: -165.493
flat angles P-C4'-P energy: -119.217
tors. eta vs tors. theta energy: -228.915
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: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2438.809731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.809731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.903990 (E_RNA)
where:
Base-Base interactions energy: -1667.177
where: short stacking energy: -695.691
Base-Backbone interact. energy: 0.070
local terms energy: -775.797164
where:
bonds (distance) C4'-P energy: -140.002
bonds (distance) P-C4' energy: -144.507
flat angles C4'-P-C4' energy: -171.944
flat angles P-C4'-P energy: -119.294
tors. eta vs tors. theta energy: -200.050
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: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2244.756116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.756116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.135227 (E_RNA)
where:
Base-Base interactions energy: -1516.930
where: short stacking energy: -644.778
Base-Backbone interact. energy: 0.000
local terms energy: -729.205247
where:
bonds (distance) C4'-P energy: -131.660
bonds (distance) P-C4' energy: -131.723
flat angles C4'-P-C4' energy: -197.562
flat angles P-C4'-P energy: -91.972
tors. eta vs tors. theta energy: -176.287
Dist. restrs. and SS energy: 1.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2140.516549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.516549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.582386 (E_RNA)
where:
Base-Base interactions energy: -1426.709
where: short stacking energy: -608.189
Base-Backbone interact. energy: -3.059
local terms energy: -712.814003
where:
bonds (distance) C4'-P energy: -144.224
bonds (distance) P-C4' energy: -139.553
flat angles C4'-P-C4' energy: -146.443
flat angles P-C4'-P energy: -100.269
tors. eta vs tors. theta energy: -182.324
Dist. restrs. and SS energy: 2.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2036.751118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.751118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.885850 (E_RNA)
where:
Base-Base interactions energy: -1381.961
where: short stacking energy: -610.426
Base-Backbone interact. energy: 3.324
local terms energy: -660.249206
where:
bonds (distance) C4'-P energy: -126.995
bonds (distance) P-C4' energy: -141.425
flat angles C4'-P-C4' energy: -144.233
flat angles P-C4'-P energy: -109.231
tors. eta vs tors. theta energy: -138.366
Dist. restrs. and SS energy: 2.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1946.527118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.527118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.373205 (E_RNA)
where:
Base-Base interactions energy: -1295.259
where: short stacking energy: -530.306
Base-Backbone interact. energy: -0.550
local terms energy: -653.564262
where:
bonds (distance) C4'-P energy: -127.280
bonds (distance) P-C4' energy: -133.337
flat angles C4'-P-C4' energy: -157.746
flat angles P-C4'-P energy: -99.145
tors. eta vs tors. theta energy: -136.056
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1883.627645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.627645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.901164 (E_RNA)
where:
Base-Base interactions energy: -1261.802
where: short stacking energy: -513.185
Base-Backbone interact. energy: -3.302
local terms energy: -622.796905
where:
bonds (distance) C4'-P energy: -135.004
bonds (distance) P-C4' energy: -129.759
flat angles C4'-P-C4' energy: -138.472
flat angles P-C4'-P energy: -87.107
tors. eta vs tors. theta energy: -132.454
Dist. restrs. and SS energy: 4.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2918.664617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.664617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.298260 (E_RNA)
where:
Base-Base interactions energy: -2057.737
where: short stacking energy: -840.991
Base-Backbone interact. energy: 1.032
local terms energy: -863.594013
where:
bonds (distance) C4'-P energy: -155.621
bonds (distance) P-C4' energy: -160.667
flat angles C4'-P-C4' energy: -181.070
flat angles P-C4'-P energy: -126.914
tors. eta vs tors. theta energy: -239.323
Dist. restrs. and SS energy: 1.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2822.735757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.735757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.203772 (E_RNA)
where:
Base-Base interactions energy: -1956.943
where: short stacking energy: -813.079
Base-Backbone interact. energy: 1.714
local terms energy: -868.974611
where:
bonds (distance) C4'-P energy: -157.068
bonds (distance) P-C4' energy: -153.093
flat angles C4'-P-C4' energy: -177.751
flat angles P-C4'-P energy: -133.543
tors. eta vs tors. theta energy: -247.518
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: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2683.979828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.979828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.537954 (E_RNA)
where:
Base-Base interactions energy: -1837.270
where: short stacking energy: -776.140
Base-Backbone interact. energy: 1.586
local terms energy: -850.854763
where:
bonds (distance) C4'-P energy: -167.048
bonds (distance) P-C4' energy: -141.933
flat angles C4'-P-C4' energy: -174.988
flat angles P-C4'-P energy: -128.532
tors. eta vs tors. theta energy: -238.354
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: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2499.576034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.576034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.975002 (E_RNA)
where:
Base-Base interactions energy: -1740.669
where: short stacking energy: -745.678
Base-Backbone interact. energy: 2.717
local terms energy: -765.022683
where:
bonds (distance) C4'-P energy: -153.439
bonds (distance) P-C4' energy: -141.504
flat angles C4'-P-C4' energy: -170.926
flat angles P-C4'-P energy: -90.249
tors. eta vs tors. theta energy: -208.904
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: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2425.477422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.477422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.854908 (E_RNA)
where:
Base-Base interactions energy: -1689.368
where: short stacking energy: -708.685
Base-Backbone interact. energy: -0.048
local terms energy: -739.439043
where:
bonds (distance) C4'-P energy: -147.401
bonds (distance) P-C4' energy: -149.224
flat angles C4'-P-C4' energy: -162.908
flat angles P-C4'-P energy: -92.830
tors. eta vs tors. theta energy: -187.076
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: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2271.156951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.156951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.130004 (E_RNA)
where:
Base-Base interactions energy: -1566.343
where: short stacking energy: -652.496
Base-Backbone interact. energy: 1.790
local terms energy: -708.576657
where:
bonds (distance) C4'-P energy: -110.100
bonds (distance) P-C4' energy: -148.953
flat angles C4'-P-C4' energy: -169.834
flat angles P-C4'-P energy: -103.555
tors. eta vs tors. theta energy: -176.136
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2129.503864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.503864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.426504 (E_RNA)
where:
Base-Base interactions energy: -1417.232
where: short stacking energy: -593.623
Base-Backbone interact. energy: 2.162
local terms energy: -716.356541
where:
bonds (distance) C4'-P energy: -142.711
bonds (distance) P-C4' energy: -136.977
flat angles C4'-P-C4' energy: -167.570
flat angles P-C4'-P energy: -99.034
tors. eta vs tors. theta energy: -170.065
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: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1978.241276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.241276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.838165 (E_RNA)
where:
Base-Base interactions energy: -1333.378
where: short stacking energy: -557.480
Base-Backbone interact. energy: -1.237
local terms energy: -645.222807
where:
bonds (distance) C4'-P energy: -134.499
bonds (distance) P-C4' energy: -147.591
flat angles C4'-P-C4' energy: -136.231
flat angles P-C4'-P energy: -90.019
tors. eta vs tors. theta energy: -136.883
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: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1955.736693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.736693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.580925 (E_RNA)
where:
Base-Base interactions energy: -1339.345
where: short stacking energy: -554.903
Base-Backbone interact. energy: 5.917
local terms energy: -626.152553
where:
bonds (distance) C4'-P energy: -134.650
bonds (distance) P-C4' energy: -123.601
flat angles C4'-P-C4' energy: -148.293
flat angles P-C4'-P energy: -88.368
tors. eta vs tors. theta energy: -131.240
Dist. restrs. and SS energy: 3.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1894.310124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.310124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.010600 (E_RNA)
where:
Base-Base interactions energy: -1264.267
where: short stacking energy: -543.192
Base-Backbone interact. energy: -0.854
local terms energy: -632.889625
where:
bonds (distance) C4'-P energy: -143.408
bonds (distance) P-C4' energy: -142.585
flat angles C4'-P-C4' energy: -144.830
flat angles P-C4'-P energy: -74.620
tors. eta vs tors. theta energy: -127.447
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: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2901.273226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.273226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.387755 (E_RNA)
where:
Base-Base interactions energy: -2036.137
where: short stacking energy: -822.569
Base-Backbone interact. energy: -0.047
local terms energy: -866.203625
where:
bonds (distance) C4'-P energy: -156.047
bonds (distance) P-C4' energy: -165.389
flat angles C4'-P-C4' energy: -185.575
flat angles P-C4'-P energy: -106.793
tors. eta vs tors. theta energy: -252.400
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: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2801.282173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.282173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.354979 (E_RNA)
where:
Base-Base interactions energy: -1941.093
where: short stacking energy: -809.497
Base-Backbone interact. energy: 2.867
local terms energy: -865.128708
where:
bonds (distance) C4'-P energy: -164.230
bonds (distance) P-C4' energy: -152.016
flat angles C4'-P-C4' energy: -199.330
flat angles P-C4'-P energy: -118.062
tors. eta vs tors. theta energy: -231.490
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: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2663.080500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.080500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.770016 (E_RNA)
where:
Base-Base interactions energy: -1832.238
where: short stacking energy: -762.017
Base-Backbone interact. energy: 0.697
local terms energy: -834.228928
where:
bonds (distance) C4'-P energy: -141.628
bonds (distance) P-C4' energy: -165.261
flat angles C4'-P-C4' energy: -180.912
flat angles P-C4'-P energy: -124.770
tors. eta vs tors. theta energy: -221.658
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: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2559.400728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.400728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.755965 (E_RNA)
where:
Base-Base interactions energy: -1758.312
where: short stacking energy: -771.792
Base-Backbone interact. energy: -1.136
local terms energy: -802.308142
where:
bonds (distance) C4'-P energy: -147.427
bonds (distance) P-C4' energy: -151.016
flat angles C4'-P-C4' energy: -171.920
flat angles P-C4'-P energy: -108.405
tors. eta vs tors. theta energy: -223.540
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: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2381.583060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.583060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.816112 (E_RNA)
where:
Base-Base interactions energy: -1612.420
where: short stacking energy: -689.611
Base-Backbone interact. energy: 0.277
local terms energy: -771.673004
where:
bonds (distance) C4'-P energy: -156.658
bonds (distance) P-C4' energy: -152.725
flat angles C4'-P-C4' energy: -174.725
flat angles P-C4'-P energy: -104.032
tors. eta vs tors. theta energy: -183.532
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: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2212.730621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.730621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.102624 (E_RNA)
where:
Base-Base interactions energy: -1489.602
where: short stacking energy: -659.702
Base-Backbone interact. energy: 1.996
local terms energy: -728.496721
where:
bonds (distance) C4'-P energy: -134.465
bonds (distance) P-C4' energy: -127.744
flat angles C4'-P-C4' energy: -169.042
flat angles P-C4'-P energy: -113.162
tors. eta vs tors. theta energy: -184.085
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2134.038494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.038494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.828781 (E_RNA)
where:
Base-Base interactions energy: -1460.946
where: short stacking energy: -628.777
Base-Backbone interact. energy: 0.554
local terms energy: -676.436360
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -125.330
flat angles C4'-P-C4' energy: -167.704
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -175.306
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: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1984.182848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.182848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.664445 (E_RNA)
where:
Base-Base interactions energy: -1346.139
where: short stacking energy: -574.999
Base-Backbone interact. energy: -3.752
local terms energy: -635.774020
where:
bonds (distance) C4'-P energy: -144.794
bonds (distance) P-C4' energy: -120.109
flat angles C4'-P-C4' energy: -132.095
flat angles P-C4'-P energy: -94.532
tors. eta vs tors. theta energy: -144.244
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: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1903.370655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.370655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.732528 (E_RNA)
where:
Base-Base interactions energy: -1293.963
where: short stacking energy: -541.778
Base-Backbone interact. energy: 3.232
local terms energy: -616.000638
where:
bonds (distance) C4'-P energy: -126.329
bonds (distance) P-C4' energy: -117.893
flat angles C4'-P-C4' energy: -151.285
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -140.953
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1894.687779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.687779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.926031 (E_RNA)
where:
Base-Base interactions energy: -1301.838
where: short stacking energy: -548.252
Base-Backbone interact. energy: 2.962
local terms energy: -599.049159
where:
bonds (distance) C4'-P energy: -121.349
bonds (distance) P-C4' energy: -139.758
flat angles C4'-P-C4' energy: -140.389
flat angles P-C4'-P energy: -63.671
tors. eta vs tors. theta energy: -133.883
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: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2923.707882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.707882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.408641 (E_RNA)
where:
Base-Base interactions energy: -2025.738
where: short stacking energy: -865.154
Base-Backbone interact. energy: -1.574
local terms energy: -898.096359
where:
bonds (distance) C4'-P energy: -163.907
bonds (distance) P-C4' energy: -170.254
flat angles C4'-P-C4' energy: -184.162
flat angles P-C4'-P energy: -128.703
tors. eta vs tors. theta energy: -251.070
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2812.087381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.087381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.708289 (E_RNA)
where:
Base-Base interactions energy: -1971.171
where: short stacking energy: -838.626
Base-Backbone interact. energy: -4.903
local terms energy: -838.633766
where:
bonds (distance) C4'-P energy: -147.360
bonds (distance) P-C4' energy: -147.288
flat angles C4'-P-C4' energy: -180.900
flat angles P-C4'-P energy: -117.278
tors. eta vs tors. theta energy: -245.808
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: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2678.999544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.999544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.270295 (E_RNA)
where:
Base-Base interactions energy: -1843.749
where: short stacking energy: -773.428
Base-Backbone interact. energy: -2.156
local terms energy: -834.365983
where:
bonds (distance) C4'-P energy: -151.364
bonds (distance) P-C4' energy: -150.565
flat angles C4'-P-C4' energy: -192.851
flat angles P-C4'-P energy: -114.139
tors. eta vs tors. theta energy: -225.448
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2504.452985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.452985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.696256 (E_RNA)
where:
Base-Base interactions energy: -1720.025
where: short stacking energy: -718.400
Base-Backbone interact. energy: 0.104
local terms energy: -786.774756
where:
bonds (distance) C4'-P energy: -149.081
bonds (distance) P-C4' energy: -139.148
flat angles C4'-P-C4' energy: -163.235
flat angles P-C4'-P energy: -124.351
tors. eta vs tors. theta energy: -210.959
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: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2414.744652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.744652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.697962 (E_RNA)
where:
Base-Base interactions energy: -1672.740
where: short stacking energy: -698.640
Base-Backbone interact. energy: -5.243
local terms energy: -739.714332
where:
bonds (distance) C4'-P energy: -148.911
bonds (distance) P-C4' energy: -162.989
flat angles C4'-P-C4' energy: -152.834
flat angles P-C4'-P energy: -81.658
tors. eta vs tors. theta energy: -193.322
Dist. restrs. and SS energy: 2.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2252.795556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.795556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.788375 (E_RNA)
where:
Base-Base interactions energy: -1512.677
where: short stacking energy: -661.507
Base-Backbone interact. energy: -2.418
local terms energy: -739.693199
where:
bonds (distance) C4'-P energy: -126.177
bonds (distance) P-C4' energy: -156.141
flat angles C4'-P-C4' energy: -173.290
flat angles P-C4'-P energy: -103.399
tors. eta vs tors. theta energy: -180.685
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2131.209652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.209652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.068995 (E_RNA)
where:
Base-Base interactions energy: -1443.135
where: short stacking energy: -627.437
Base-Backbone interact. energy: 0.476
local terms energy: -690.409929
where:
bonds (distance) C4'-P energy: -127.585
bonds (distance) P-C4' energy: -137.298
flat angles C4'-P-C4' energy: -156.853
flat angles P-C4'-P energy: -88.994
tors. eta vs tors. theta energy: -179.679
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: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1993.503656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.503656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.011050 (E_RNA)
where:
Base-Base interactions energy: -1378.608
where: short stacking energy: -585.411
Base-Backbone interact. energy: 4.959
local terms energy: -622.362133
where:
bonds (distance) C4'-P energy: -121.666
bonds (distance) P-C4' energy: -126.824
flat angles C4'-P-C4' energy: -147.251
flat angles P-C4'-P energy: -85.435
tors. eta vs tors. theta energy: -141.186
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1931.809600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.809600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.487142 (E_RNA)
where:
Base-Base interactions energy: -1297.008
where: short stacking energy: -534.824
Base-Backbone interact. energy: -2.880
local terms energy: -634.598610
where:
bonds (distance) C4'-P energy: -131.680
bonds (distance) P-C4' energy: -137.568
flat angles C4'-P-C4' energy: -140.621
flat angles P-C4'-P energy: -96.420
tors. eta vs tors. theta energy: -128.310
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: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1857.048504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.048504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.629958 (E_RNA)
where:
Base-Base interactions energy: -1278.348
where: short stacking energy: -532.920
Base-Backbone interact. energy: 0.344
local terms energy: -582.626409
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -128.895
flat angles C4'-P-C4' energy: -130.105
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -132.765
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2921.179107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.179107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.655790 (E_RNA)
where:
Base-Base interactions energy: -2062.660
where: short stacking energy: -843.267
Base-Backbone interact. energy: 3.772
local terms energy: -863.767382
where:
bonds (distance) C4'-P energy: -155.540
bonds (distance) P-C4' energy: -152.024
flat angles C4'-P-C4' energy: -200.121
flat angles P-C4'-P energy: -120.024
tors. eta vs tors. theta energy: -236.058
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: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2827.941132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.941132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.914675 (E_RNA)
where:
Base-Base interactions energy: -1951.605
where: short stacking energy: -793.754
Base-Backbone interact. energy: -2.919
local terms energy: -875.390493
where:
bonds (distance) C4'-P energy: -162.328
bonds (distance) P-C4' energy: -162.155
flat angles C4'-P-C4' energy: -173.472
flat angles P-C4'-P energy: -134.881
tors. eta vs tors. theta energy: -242.554
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2693.831341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.831341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.599991 (E_RNA)
where:
Base-Base interactions energy: -1835.724
where: short stacking energy: -819.465
Base-Backbone interact. energy: 3.307
local terms energy: -863.182635
where:
bonds (distance) C4'-P energy: -157.827
bonds (distance) P-C4' energy: -152.625
flat angles C4'-P-C4' energy: -179.118
flat angles P-C4'-P energy: -123.566
tors. eta vs tors. theta energy: -250.047
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2482.161270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.161270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.852579 (E_RNA)
where:
Base-Base interactions energy: -1710.903
where: short stacking energy: -718.601
Base-Backbone interact. energy: -1.574
local terms energy: -772.376160
where:
bonds (distance) C4'-P energy: -144.502
bonds (distance) P-C4' energy: -149.117
flat angles C4'-P-C4' energy: -172.950
flat angles P-C4'-P energy: -102.227
tors. eta vs tors. theta energy: -203.581
Dist. restrs. and SS energy: 2.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2468.760198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.760198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.314696 (E_RNA)
where:
Base-Base interactions energy: -1713.530
where: short stacking energy: -724.924
Base-Backbone interact. energy: -3.079
local terms energy: -754.705919
where:
bonds (distance) C4'-P energy: -130.763
bonds (distance) P-C4' energy: -162.581
flat angles C4'-P-C4' energy: -155.280
flat angles P-C4'-P energy: -102.084
tors. eta vs tors. theta energy: -203.998
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: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2270.736351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.736351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.005015 (E_RNA)
where:
Base-Base interactions energy: -1551.784
where: short stacking energy: -662.527
Base-Backbone interact. energy: -1.720
local terms energy: -720.500979
where:
bonds (distance) C4'-P energy: -128.714
bonds (distance) P-C4' energy: -140.736
flat angles C4'-P-C4' energy: -163.569
flat angles P-C4'-P energy: -104.607
tors. eta vs tors. theta energy: -182.874
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: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2157.323321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.323321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.811298 (E_RNA)
where:
Base-Base interactions energy: -1447.445
where: short stacking energy: -643.955
Base-Backbone interact. energy: -1.639
local terms energy: -710.727164
where:
bonds (distance) C4'-P energy: -137.735
bonds (distance) P-C4' energy: -146.449
flat angles C4'-P-C4' energy: -160.264
flat angles P-C4'-P energy: -92.866
tors. eta vs tors. theta energy: -173.413
Dist. restrs. and SS energy: 2.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2023.675870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.675870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.566992 (E_RNA)
where:
Base-Base interactions energy: -1363.936
where: short stacking energy: -582.377
Base-Backbone interact. energy: 6.181
local terms energy: -667.811851
where:
bonds (distance) C4'-P energy: -137.579
bonds (distance) P-C4' energy: -142.867
flat angles C4'-P-C4' energy: -158.942
flat angles P-C4'-P energy: -83.845
tors. eta vs tors. theta energy: -144.579
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1927.935849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.935849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.001209 (E_RNA)
where:
Base-Base interactions energy: -1340.341
where: short stacking energy: -580.270
Base-Backbone interact. energy: 0.740
local terms energy: -591.399910
where:
bonds (distance) C4'-P energy: -128.660
bonds (distance) P-C4' energy: -92.540
flat angles C4'-P-C4' energy: -135.104
flat angles P-C4'-P energy: -97.589
tors. eta vs tors. theta energy: -137.507
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: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1855.419843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.419843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.944988 (E_RNA)
where:
Base-Base interactions energy: -1272.696
where: short stacking energy: -533.246
Base-Backbone interact. energy: 0.563
local terms energy: -585.812553
where:
bonds (distance) C4'-P energy: -123.379
bonds (distance) P-C4' energy: -107.443
flat angles C4'-P-C4' energy: -149.059
flat angles P-C4'-P energy: -66.749
tors. eta vs tors. theta energy: -139.182
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: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2940.001582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.001582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.664647 (E_RNA)
where:
Base-Base interactions energy: -2066.364
where: short stacking energy: -825.437
Base-Backbone interact. energy: 0.590
local terms energy: -876.891191
where:
bonds (distance) C4'-P energy: -151.745
bonds (distance) P-C4' energy: -166.144
flat angles C4'-P-C4' energy: -175.459
flat angles P-C4'-P energy: -137.408
tors. eta vs tors. theta energy: -246.134
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2801.711924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.711924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.881006 (E_RNA)
where:
Base-Base interactions energy: -1956.492
where: short stacking energy: -798.014
Base-Backbone interact. energy: -4.089
local terms energy: -842.300292
where:
bonds (distance) C4'-P energy: -147.140
bonds (distance) P-C4' energy: -171.388
flat angles C4'-P-C4' energy: -173.608
flat angles P-C4'-P energy: -122.967
tors. eta vs tors. theta energy: -227.197
Dist. restrs. and SS energy: 1.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2705.089732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.089732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.234438 (E_RNA)
where:
Base-Base interactions energy: -1843.596
where: short stacking energy: -783.405
Base-Backbone interact. energy: 4.061
local terms energy: -867.699322
where:
bonds (distance) C4'-P energy: -161.919
bonds (distance) P-C4' energy: -162.445
flat angles C4'-P-C4' energy: -187.782
flat angles P-C4'-P energy: -114.980
tors. eta vs tors. theta energy: -240.573
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2540.895669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.895669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.053934 (E_RNA)
where:
Base-Base interactions energy: -1714.329
where: short stacking energy: -756.018
Base-Backbone interact. energy: -0.842
local terms energy: -828.883652
where:
bonds (distance) C4'-P energy: -163.606
bonds (distance) P-C4' energy: -158.655
flat angles C4'-P-C4' energy: -169.904
flat angles P-C4'-P energy: -113.832
tors. eta vs tors. theta energy: -222.886
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: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2413.873991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.873991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.187488 (E_RNA)
where:
Base-Base interactions energy: -1669.083
where: short stacking energy: -704.979
Base-Backbone interact. energy: 6.742
local terms energy: -752.847019
where:
bonds (distance) C4'-P energy: -120.782
bonds (distance) P-C4' energy: -155.807
flat angles C4'-P-C4' energy: -173.115
flat angles P-C4'-P energy: -104.474
tors. eta vs tors. theta energy: -198.669
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2240.743779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.743779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.369803 (E_RNA)
where:
Base-Base interactions energy: -1536.509
where: short stacking energy: -646.028
Base-Backbone interact. energy: 1.984
local terms energy: -708.845295
where:
bonds (distance) C4'-P energy: -124.798
bonds (distance) P-C4' energy: -147.174
flat angles C4'-P-C4' energy: -157.613
flat angles P-C4'-P energy: -101.674
tors. eta vs tors. theta energy: -177.586
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: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2129.228727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.228727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.192728 (E_RNA)
where:
Base-Base interactions energy: -1434.074
where: short stacking energy: -609.133
Base-Backbone interact. energy: -3.099
local terms energy: -695.019957
where:
bonds (distance) C4'-P energy: -136.401
bonds (distance) P-C4' energy: -142.452
flat angles C4'-P-C4' energy: -144.409
flat angles P-C4'-P energy: -109.226
tors. eta vs tors. theta energy: -162.532
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: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2047.889851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.889851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.771992 (E_RNA)
where:
Base-Base interactions energy: -1398.152
where: short stacking energy: -591.687
Base-Backbone interact. energy: 0.122
local terms energy: -651.741971
where:
bonds (distance) C4'-P energy: -126.047
bonds (distance) P-C4' energy: -127.203
flat angles C4'-P-C4' energy: -138.595
flat angles P-C4'-P energy: -93.569
tors. eta vs tors. theta energy: -166.328
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1917.897254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.897254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.639046 (E_RNA)
where:
Base-Base interactions energy: -1292.809
where: short stacking energy: -530.007
Base-Backbone interact. energy: -2.686
local terms energy: -630.144465
where:
bonds (distance) C4'-P energy: -126.560
bonds (distance) P-C4' energy: -140.418
flat angles C4'-P-C4' energy: -135.996
flat angles P-C4'-P energy: -77.214
tors. eta vs tors. theta energy: -149.956
Dist. restrs. and SS energy: 7.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1879.789806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.789806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.137083 (E_RNA)
where:
Base-Base interactions energy: -1304.105
where: short stacking energy: -541.010
Base-Backbone interact. energy: 3.951
local terms energy: -582.983496
where:
bonds (distance) C4'-P energy: -122.192
bonds (distance) P-C4' energy: -134.671
flat angles C4'-P-C4' energy: -112.888
flat angles P-C4'-P energy: -90.466
tors. eta vs tors. theta energy: -122.767
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: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2915.436880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.436880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.436300 (E_RNA)
where:
Base-Base interactions energy: -2037.543
where: short stacking energy: -850.889
Base-Backbone interact. energy: 0.302
local terms energy: -880.195195
where:
bonds (distance) C4'-P energy: -152.523
bonds (distance) P-C4' energy: -169.635
flat angles C4'-P-C4' energy: -190.983
flat angles P-C4'-P energy: -116.439
tors. eta vs tors. theta energy: -250.615
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2819.916305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.916305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.406405 (E_RNA)
where:
Base-Base interactions energy: -1950.657
where: short stacking energy: -811.253
Base-Backbone interact. energy: -6.808
local terms energy: -863.941991
where:
bonds (distance) C4'-P energy: -149.460
bonds (distance) P-C4' energy: -161.289
flat angles C4'-P-C4' energy: -190.822
flat angles P-C4'-P energy: -114.444
tors. eta vs tors. theta energy: -247.927
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: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2642.305786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.305786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.445531 (E_RNA)
where:
Base-Base interactions energy: -1785.794
where: short stacking energy: -767.230
Base-Backbone interact. energy: -0.834
local terms energy: -857.817635
where:
bonds (distance) C4'-P energy: -156.532
bonds (distance) P-C4' energy: -161.473
flat angles C4'-P-C4' energy: -180.103
flat angles P-C4'-P energy: -124.981
tors. eta vs tors. theta energy: -234.727
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: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2475.824293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.824293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.772450 (E_RNA)
where:
Base-Base interactions energy: -1664.096
where: short stacking energy: -722.720
Base-Backbone interact. energy: 2.542
local terms energy: -816.219117
where:
bonds (distance) C4'-P energy: -154.445
bonds (distance) P-C4' energy: -150.775
flat angles C4'-P-C4' energy: -178.164
flat angles P-C4'-P energy: -114.546
tors. eta vs tors. theta energy: -218.289
Dist. restrs. and SS energy: 1.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2452.922742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.922742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.319996 (E_RNA)
where:
Base-Base interactions energy: -1675.294
where: short stacking energy: -703.416
Base-Backbone interact. energy: -2.858
local terms energy: -776.168311
where:
bonds (distance) C4'-P energy: -152.129
bonds (distance) P-C4' energy: -152.409
flat angles C4'-P-C4' energy: -164.288
flat angles P-C4'-P energy: -105.253
tors. eta vs tors. theta energy: -202.089
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: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2236.196408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.196408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.306355 (E_RNA)
where:
Base-Base interactions energy: -1521.360
where: short stacking energy: -627.446
Base-Backbone interact. energy: 2.223
local terms energy: -720.169147
where:
bonds (distance) C4'-P energy: -152.932
bonds (distance) P-C4' energy: -135.020
flat angles C4'-P-C4' energy: -155.597
flat angles P-C4'-P energy: -112.915
tors. eta vs tors. theta energy: -163.705
Dist. restrs. and SS energy: 3.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2117.060788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.060788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.414892 (E_RNA)
where:
Base-Base interactions energy: -1394.192
where: short stacking energy: -605.217
Base-Backbone interact. energy: 0.982
local terms energy: -726.204541
where:
bonds (distance) C4'-P energy: -140.530
bonds (distance) P-C4' energy: -148.877
flat angles C4'-P-C4' energy: -161.531
flat angles P-C4'-P energy: -105.089
tors. eta vs tors. theta energy: -170.178
Dist. restrs. and SS energy: 2.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1998.495750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.495750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.170728 (E_RNA)
where:
Base-Base interactions energy: -1332.882
where: short stacking energy: -549.009
Base-Backbone interact. energy: -6.098
local terms energy: -661.190434
where:
bonds (distance) C4'-P energy: -145.902
bonds (distance) P-C4' energy: -152.611
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -93.165
tors. eta vs tors. theta energy: -135.348
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1906.561030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.561030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.931412 (E_RNA)
where:
Base-Base interactions energy: -1270.217
where: short stacking energy: -520.848
Base-Backbone interact. energy: -3.239
local terms energy: -637.475530
where:
bonds (distance) C4'-P energy: -141.141
bonds (distance) P-C4' energy: -143.786
flat angles C4'-P-C4' energy: -134.346
flat angles P-C4'-P energy: -90.057
tors. eta vs tors. theta energy: -128.145
Dist. restrs. and SS energy: 4.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1861.772956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.772956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.835349 (E_RNA)
where:
Base-Base interactions energy: -1254.426
where: short stacking energy: -535.698
Base-Backbone interact. energy: 0.101
local terms energy: -615.509510
where:
bonds (distance) C4'-P energy: -109.901
bonds (distance) P-C4' energy: -141.863
flat angles C4'-P-C4' energy: -127.161
flat angles P-C4'-P energy: -101.417
tors. eta vs tors. theta energy: -135.168
Dist. restrs. and SS energy: 8.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2927.502387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.502387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.023591 (E_RNA)
where:
Base-Base interactions energy: -2042.223
where: short stacking energy: -818.342
Base-Backbone interact. energy: -1.376
local terms energy: -885.423994
where:
bonds (distance) C4'-P energy: -164.014
bonds (distance) P-C4' energy: -180.711
flat angles C4'-P-C4' energy: -173.558
flat angles P-C4'-P energy: -130.449
tors. eta vs tors. theta energy: -236.692
Dist. restrs. and SS energy: 1.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2800.122443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.122443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.564835 (E_RNA)
where:
Base-Base interactions energy: -1964.953
where: short stacking energy: -803.439
Base-Backbone interact. energy: -4.416
local terms energy: -832.196050
where:
bonds (distance) C4'-P energy: -146.022
bonds (distance) P-C4' energy: -158.201
flat angles C4'-P-C4' energy: -180.858
flat angles P-C4'-P energy: -113.218
tors. eta vs tors. theta energy: -233.897
Dist. restrs. and SS energy: 1.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2648.352641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.352641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.669312 (E_RNA)
where:
Base-Base interactions energy: -1849.984
where: short stacking energy: -827.008
Base-Backbone interact. energy: -2.231
local terms energy: -798.454417
where:
bonds (distance) C4'-P energy: -136.521
bonds (distance) P-C4' energy: -131.631
flat angles C4'-P-C4' energy: -177.980
flat angles P-C4'-P energy: -123.023
tors. eta vs tors. theta energy: -229.300
Dist. restrs. and SS energy: 2.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2537.803242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.803242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.879440 (E_RNA)
where:
Base-Base interactions energy: -1739.898
where: short stacking energy: -732.157
Base-Backbone interact. energy: -3.265
local terms energy: -796.716402
where:
bonds (distance) C4'-P energy: -132.812
bonds (distance) P-C4' energy: -155.507
flat angles C4'-P-C4' energy: -185.038
flat angles P-C4'-P energy: -114.161
tors. eta vs tors. theta energy: -209.198
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2452.486972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.486972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.428932 (E_RNA)
where:
Base-Base interactions energy: -1691.763
where: short stacking energy: -717.151
Base-Backbone interact. energy: -1.418
local terms energy: -761.248296
where:
bonds (distance) C4'-P energy: -129.255
bonds (distance) P-C4' energy: -143.334
flat angles C4'-P-C4' energy: -164.952
flat angles P-C4'-P energy: -116.936
tors. eta vs tors. theta energy: -206.771
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2301.997213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.997213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.420428 (E_RNA)
where:
Base-Base interactions energy: -1555.521
where: short stacking energy: -652.962
Base-Backbone interact. energy: -4.245
local terms energy: -744.654914
where:
bonds (distance) C4'-P energy: -148.188
bonds (distance) P-C4' energy: -149.058
flat angles C4'-P-C4' energy: -179.962
flat angles P-C4'-P energy: -101.448
tors. eta vs tors. theta energy: -166.000
Dist. restrs. and SS energy: 2.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2072.822122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.822122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.764283 (E_RNA)
where:
Base-Base interactions energy: -1385.764
where: short stacking energy: -597.482
Base-Backbone interact. energy: -1.244
local terms energy: -688.755873
where:
bonds (distance) C4'-P energy: -123.194
bonds (distance) P-C4' energy: -138.971
flat angles C4'-P-C4' energy: -143.731
flat angles P-C4'-P energy: -115.824
tors. eta vs tors. theta energy: -167.035
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: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2004.172566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.172566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.919600 (E_RNA)
where:
Base-Base interactions energy: -1355.959
where: short stacking energy: -614.470
Base-Backbone interact. energy: 1.328
local terms energy: -652.289409
where:
bonds (distance) C4'-P energy: -125.158
bonds (distance) P-C4' energy: -133.438
flat angles C4'-P-C4' energy: -141.917
flat angles P-C4'-P energy: -92.390
tors. eta vs tors. theta energy: -159.387
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1951.589674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.589674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.670400 (E_RNA)
where:
Base-Base interactions energy: -1347.152
where: short stacking energy: -549.916
Base-Backbone interact. energy: 1.949
local terms energy: -609.467730
where:
bonds (distance) C4'-P energy: -136.424
bonds (distance) P-C4' energy: -120.264
flat angles C4'-P-C4' energy: -137.855
flat angles P-C4'-P energy: -84.253
tors. eta vs tors. theta energy: -130.672
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: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1873.950046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.950046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.883979 (E_RNA)
where:
Base-Base interactions energy: -1262.565
where: short stacking energy: -522.794
Base-Backbone interact. energy: 0.942
local terms energy: -615.261511
where:
bonds (distance) C4'-P energy: -126.523
bonds (distance) P-C4' energy: -119.012
flat angles C4'-P-C4' energy: -141.412
flat angles P-C4'-P energy: -82.232
tors. eta vs tors. theta energy: -146.082
Dist. restrs. and SS energy: 2.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2933.378834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.378834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.868949 (E_RNA)
where:
Base-Base interactions energy: -2036.803
where: short stacking energy: -846.991
Base-Backbone interact. energy: 0.940
local terms energy: -899.006123
where:
bonds (distance) C4'-P energy: -167.219
bonds (distance) P-C4' energy: -161.002
flat angles C4'-P-C4' energy: -193.215
flat angles P-C4'-P energy: -140.510
tors. eta vs tors. theta energy: -237.060
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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2801.329122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.329122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.185520 (E_RNA)
where:
Base-Base interactions energy: -1953.472
where: short stacking energy: -804.039
Base-Backbone interact. energy: -2.725
local terms energy: -845.988497
where:
bonds (distance) C4'-P energy: -155.902
bonds (distance) P-C4' energy: -164.379
flat angles C4'-P-C4' energy: -180.356
flat angles P-C4'-P energy: -104.852
tors. eta vs tors. theta energy: -240.500
Dist. restrs. and SS energy: 0.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2659.204802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.204802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.975226 (E_RNA)
where:
Base-Base interactions energy: -1836.451
where: short stacking energy: -762.836
Base-Backbone interact. energy: -2.338
local terms energy: -822.186215
where:
bonds (distance) C4'-P energy: -158.281
bonds (distance) P-C4' energy: -146.326
flat angles C4'-P-C4' energy: -172.418
flat angles P-C4'-P energy: -125.677
tors. eta vs tors. theta energy: -219.485
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2488.556557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.556557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.667314 (E_RNA)
where:
Base-Base interactions energy: -1701.266
where: short stacking energy: -715.025
Base-Backbone interact. energy: -4.523
local terms energy: -784.878623
where:
bonds (distance) C4'-P energy: -149.022
bonds (distance) P-C4' energy: -148.515
flat angles C4'-P-C4' energy: -178.502
flat angles P-C4'-P energy: -107.855
tors. eta vs tors. theta energy: -200.984
Dist. restrs. and SS energy: 2.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2451.172921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.172921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.842608 (E_RNA)
where:
Base-Base interactions energy: -1669.394
where: short stacking energy: -721.099
Base-Backbone interact. energy: -2.941
local terms energy: -780.508125
where:
bonds (distance) C4'-P energy: -128.334
bonds (distance) P-C4' energy: -162.776
flat angles C4'-P-C4' energy: -168.998
flat angles P-C4'-P energy: -107.676
tors. eta vs tors. theta energy: -212.724
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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2332.089061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.089061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.137334 (E_RNA)
where:
Base-Base interactions energy: -1612.603
where: short stacking energy: -686.779
Base-Backbone interact. energy: 0.663
local terms energy: -724.197024
where:
bonds (distance) C4'-P energy: -115.146
bonds (distance) P-C4' energy: -139.555
flat angles C4'-P-C4' energy: -159.989
flat angles P-C4'-P energy: -109.065
tors. eta vs tors. theta energy: -200.441
Dist. restrs. and SS energy: 4.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2066.929884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.929884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.145994 (E_RNA)
where:
Base-Base interactions energy: -1387.891
where: short stacking energy: -588.723
Base-Backbone interact. energy: -1.993
local terms energy: -680.261718
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -153.228
flat angles C4'-P-C4' energy: -161.075
flat angles P-C4'-P energy: -85.818
tors. eta vs tors. theta energy: -168.466
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -2004.726055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.726055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.420853 (E_RNA)
where:
Base-Base interactions energy: -1338.948
where: short stacking energy: -589.197
Base-Backbone interact. energy: -2.385
local terms energy: -667.086900
where:
bonds (distance) C4'-P energy: -146.024
bonds (distance) P-C4' energy: -125.409
flat angles C4'-P-C4' energy: -158.776
flat angles P-C4'-P energy: -78.686
tors. eta vs tors. theta energy: -158.192
Dist. restrs. and SS energy: 3.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1926.241563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.241563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.853960 (E_RNA)
where:
Base-Base interactions energy: -1296.232
where: short stacking energy: -559.689
Base-Backbone interact. energy: 0.496
local terms energy: -633.118346
where:
bonds (distance) C4'-P energy: -137.666
bonds (distance) P-C4' energy: -130.529
flat angles C4'-P-C4' energy: -134.208
flat angles P-C4'-P energy: -91.986
tors. eta vs tors. theta energy: -138.729
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: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1894.127768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.127768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.093571 (E_RNA)
where:
Base-Base interactions energy: -1320.670
where: short stacking energy: -555.049
Base-Backbone interact. energy: 4.268
local terms energy: -581.691863
where:
bonds (distance) C4'-P energy: -127.818
bonds (distance) P-C4' energy: -109.019
flat angles C4'-P-C4' energy: -123.248
flat angles P-C4'-P energy: -82.314
tors. eta vs tors. theta energy: -139.293
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: 267
Temperature: 0.900000
Total energy: -2886.940323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.940323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.849404 (E_RNA)
where:
Base-Base interactions energy: -2012.404
where: short stacking energy: -829.634
Base-Backbone interact. energy: -1.803
local terms energy: -874.642259
where:
bonds (distance) C4'-P energy: -168.646
bonds (distance) P-C4' energy: -158.371
flat angles C4'-P-C4' energy: -181.133
flat angles P-C4'-P energy: -121.803
tors. eta vs tors. theta energy: -244.690
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2868.395406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.395406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.760649 (E_RNA)
where:
Base-Base interactions energy: -1987.997
where: short stacking energy: -829.115
Base-Backbone interact. energy: -1.344
local terms energy: -880.420074
where:
bonds (distance) C4'-P energy: -147.484
bonds (distance) P-C4' energy: -157.342
flat angles C4'-P-C4' energy: -200.590
flat angles P-C4'-P energy: -130.396
tors. eta vs tors. theta energy: -244.607
Dist. restrs. and SS energy: 1.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2684.742090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.742090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.927007 (E_RNA)
where:
Base-Base interactions energy: -1849.849
where: short stacking energy: -797.948
Base-Backbone interact. energy: -1.579
local terms energy: -834.498363
where:
bonds (distance) C4'-P energy: -134.525
bonds (distance) P-C4' energy: -155.043
flat angles C4'-P-C4' energy: -180.073
flat angles P-C4'-P energy: -123.108
tors. eta vs tors. theta energy: -241.750
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: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2483.613656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.613656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.601937 (E_RNA)
where:
Base-Base interactions energy: -1698.736
where: short stacking energy: -727.005
Base-Backbone interact. energy: 2.450
local terms energy: -789.315872
where:
bonds (distance) C4'-P energy: -132.159
bonds (distance) P-C4' energy: -151.329
flat angles C4'-P-C4' energy: -182.222
flat angles P-C4'-P energy: -112.208
tors. eta vs tors. theta energy: -211.399
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: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2466.927329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.927329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.476190 (E_RNA)
where:
Base-Base interactions energy: -1722.848
where: short stacking energy: -721.603
Base-Backbone interact. energy: -2.878
local terms energy: -742.750482
where:
bonds (distance) C4'-P energy: -143.622
bonds (distance) P-C4' energy: -128.762
flat angles C4'-P-C4' energy: -157.750
flat angles P-C4'-P energy: -119.008
tors. eta vs tors. theta energy: -193.608
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2364.651446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.651446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.693423 (E_RNA)
where:
Base-Base interactions energy: -1600.109
where: short stacking energy: -677.450
Base-Backbone interact. energy: -3.237
local terms energy: -763.347604
where:
bonds (distance) C4'-P energy: -153.268
bonds (distance) P-C4' energy: -137.908
flat angles C4'-P-C4' energy: -165.446
flat angles P-C4'-P energy: -107.850
tors. eta vs tors. theta energy: -198.875
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2104.893243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.893243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.219527 (E_RNA)
where:
Base-Base interactions energy: -1444.659
where: short stacking energy: -636.145
Base-Backbone interact. energy: -1.064
local terms energy: -660.497036
where:
bonds (distance) C4'-P energy: -138.164
bonds (distance) P-C4' energy: -133.953
flat angles C4'-P-C4' energy: -142.698
flat angles P-C4'-P energy: -80.970
tors. eta vs tors. theta energy: -164.713
Dist. restrs. and SS energy: 1.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2008.983649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.983649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.089977 (E_RNA)
where:
Base-Base interactions energy: -1358.013
where: short stacking energy: -586.651
Base-Backbone interact. energy: -3.259
local terms energy: -650.817446
where:
bonds (distance) C4'-P energy: -129.876
bonds (distance) P-C4' energy: -134.341
flat angles C4'-P-C4' energy: -146.325
flat angles P-C4'-P energy: -91.832
tors. eta vs tors. theta energy: -148.444
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1936.618393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.618393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.980506 (E_RNA)
where:
Base-Base interactions energy: -1303.725
where: short stacking energy: -566.790
Base-Backbone interact. energy: -2.127
local terms energy: -633.128366
where:
bonds (distance) C4'-P energy: -123.203
bonds (distance) P-C4' energy: -122.372
flat angles C4'-P-C4' energy: -161.880
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -137.372
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1885.479067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.479067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.776059 (E_RNA)
where:
Base-Base interactions energy: -1274.427
where: short stacking energy: -517.138
Base-Backbone interact. energy: 3.539
local terms energy: -618.888211
where:
bonds (distance) C4'-P energy: -130.458
bonds (distance) P-C4' energy: -124.342
flat angles C4'-P-C4' energy: -129.418
flat angles P-C4'-P energy: -87.057
tors. eta vs tors. theta energy: -147.614
Dist. restrs. and SS energy: 4.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2891.987882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.987882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.367246 (E_RNA)
where:
Base-Base interactions energy: -2046.582
where: short stacking energy: -815.647
Base-Backbone interact. energy: 4.764
local terms energy: -852.549268
where:
bonds (distance) C4'-P energy: -156.459
bonds (distance) P-C4' energy: -160.275
flat angles C4'-P-C4' energy: -187.244
flat angles P-C4'-P energy: -117.207
tors. eta vs tors. theta energy: -231.363
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: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2787.962277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.962277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.289666 (E_RNA)
where:
Base-Base interactions energy: -1911.452
where: short stacking energy: -781.250
Base-Backbone interact. energy: -2.154
local terms energy: -875.682929
where:
bonds (distance) C4'-P energy: -156.086
bonds (distance) P-C4' energy: -173.896
flat angles C4'-P-C4' energy: -182.593
flat angles P-C4'-P energy: -131.075
tors. eta vs tors. theta energy: -232.034
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2691.116591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.116591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.362433 (E_RNA)
where:
Base-Base interactions energy: -1838.673
where: short stacking energy: -795.472
Base-Backbone interact. energy: 3.100
local terms energy: -856.789010
where:
bonds (distance) C4'-P energy: -154.491
bonds (distance) P-C4' energy: -160.769
flat angles C4'-P-C4' energy: -182.325
flat angles P-C4'-P energy: -115.142
tors. eta vs tors. theta energy: -244.062
Dist. restrs. and SS energy: 1.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2525.086383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.086383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.693829 (E_RNA)
where:
Base-Base interactions energy: -1709.785
where: short stacking energy: -736.591
Base-Backbone interact. energy: 5.775
local terms energy: -822.683908
where:
bonds (distance) C4'-P energy: -152.011
bonds (distance) P-C4' energy: -174.164
flat angles C4'-P-C4' energy: -160.640
flat angles P-C4'-P energy: -125.466
tors. eta vs tors. theta energy: -210.404
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2470.277564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.277564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.732128 (E_RNA)
where:
Base-Base interactions energy: -1689.681
where: short stacking energy: -707.931
Base-Backbone interact. energy: 1.969
local terms energy: -785.019591
where:
bonds (distance) C4'-P energy: -158.190
bonds (distance) P-C4' energy: -150.515
flat angles C4'-P-C4' energy: -167.172
flat angles P-C4'-P energy: -107.368
tors. eta vs tors. theta energy: -201.774
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: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2335.599274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.599274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.901688 (E_RNA)
where:
Base-Base interactions energy: -1590.637
where: short stacking energy: -676.642
Base-Backbone interact. energy: -2.348
local terms energy: -744.916978
where:
bonds (distance) C4'-P energy: -130.076
bonds (distance) P-C4' energy: -138.750
flat angles C4'-P-C4' energy: -162.309
flat angles P-C4'-P energy: -103.158
tors. eta vs tors. theta energy: -210.625
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: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2113.604262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.604262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.504788 (E_RNA)
where:
Base-Base interactions energy: -1447.853
where: short stacking energy: -619.027
Base-Backbone interact. energy: 7.009
local terms energy: -673.660762
where:
bonds (distance) C4'-P energy: -137.705
bonds (distance) P-C4' energy: -141.205
flat angles C4'-P-C4' energy: -143.422
flat angles P-C4'-P energy: -78.844
tors. eta vs tors. theta energy: -172.485
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: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2022.094273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.094273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.917767 (E_RNA)
where:
Base-Base interactions energy: -1337.222
where: short stacking energy: -584.141
Base-Backbone interact. energy: -0.063
local terms energy: -687.633113
where:
bonds (distance) C4'-P energy: -132.537
bonds (distance) P-C4' energy: -160.811
flat angles C4'-P-C4' energy: -153.217
flat angles P-C4'-P energy: -89.548
tors. eta vs tors. theta energy: -151.520
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1922.196846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.196846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.295895 (E_RNA)
where:
Base-Base interactions energy: -1323.276
where: short stacking energy: -543.424
Base-Backbone interact. energy: 9.573
local terms energy: -612.593634
where:
bonds (distance) C4'-P energy: -122.728
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -140.292
flat angles P-C4'-P energy: -87.407
tors. eta vs tors. theta energy: -145.511
Dist. restrs. and SS energy: 4.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1867.076033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.076033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.481335 (E_RNA)
where:
Base-Base interactions energy: -1270.671
where: short stacking energy: -526.912
Base-Backbone interact. energy: -0.739
local terms energy: -598.071317
where:
bonds (distance) C4'-P energy: -122.919
bonds (distance) P-C4' energy: -130.319
flat angles C4'-P-C4' energy: -143.457
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -136.284
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: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2900.902723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.902723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.810543 (E_RNA)
where:
Base-Base interactions energy: -2043.822
where: short stacking energy: -847.667
Base-Backbone interact. energy: -2.949
local terms energy: -855.039231
where:
bonds (distance) C4'-P energy: -162.778
bonds (distance) P-C4' energy: -151.828
flat angles C4'-P-C4' energy: -181.969
flat angles P-C4'-P energy: -122.096
tors. eta vs tors. theta energy: -236.369
Dist. restrs. and SS energy: 0.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2798.712847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.712847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.605316 (E_RNA)
where:
Base-Base interactions energy: -1942.600
where: short stacking energy: -793.381
Base-Backbone interact. energy: -2.825
local terms energy: -854.181099
where:
bonds (distance) C4'-P energy: -149.789
bonds (distance) P-C4' energy: -152.207
flat angles C4'-P-C4' energy: -182.012
flat angles P-C4'-P energy: -127.351
tors. eta vs tors. theta energy: -242.823
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2646.309596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.309596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.995082 (E_RNA)
where:
Base-Base interactions energy: -1823.343
where: short stacking energy: -768.714
Base-Backbone interact. energy: -4.039
local terms energy: -820.612518
where:
bonds (distance) C4'-P energy: -140.758
bonds (distance) P-C4' energy: -158.971
flat angles C4'-P-C4' energy: -182.077
flat angles P-C4'-P energy: -116.922
tors. eta vs tors. theta energy: -221.885
Dist. restrs. and SS energy: 1.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2499.835420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.835420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.961244 (E_RNA)
where:
Base-Base interactions energy: -1718.829
where: short stacking energy: -739.221
Base-Backbone interact. energy: 2.331
local terms energy: -784.463007
where:
bonds (distance) C4'-P energy: -150.178
bonds (distance) P-C4' energy: -142.014
flat angles C4'-P-C4' energy: -164.240
flat angles P-C4'-P energy: -118.691
tors. eta vs tors. theta energy: -209.340
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2404.578893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.578893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.146839 (E_RNA)
where:
Base-Base interactions energy: -1650.679
where: short stacking energy: -713.017
Base-Backbone interact. energy: -2.306
local terms energy: -753.161787
where:
bonds (distance) C4'-P energy: -130.940
bonds (distance) P-C4' energy: -137.512
flat angles C4'-P-C4' energy: -172.740
flat angles P-C4'-P energy: -96.206
tors. eta vs tors. theta energy: -215.765
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2331.672314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.672314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.031402 (E_RNA)
where:
Base-Base interactions energy: -1597.802
where: short stacking energy: -665.578
Base-Backbone interact. energy: -0.187
local terms energy: -736.042336
where:
bonds (distance) C4'-P energy: -123.534
bonds (distance) P-C4' energy: -147.313
flat angles C4'-P-C4' energy: -177.834
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -195.024
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: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2086.069823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.069823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.574833 (E_RNA)
where:
Base-Base interactions energy: -1439.112
where: short stacking energy: -620.975
Base-Backbone interact. energy: -0.835
local terms energy: -648.628151
where:
bonds (distance) C4'-P energy: -119.527
bonds (distance) P-C4' energy: -127.805
flat angles C4'-P-C4' energy: -147.122
flat angles P-C4'-P energy: -100.790
tors. eta vs tors. theta energy: -153.384
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2011.728698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.728698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.153277 (E_RNA)
where:
Base-Base interactions energy: -1343.599
where: short stacking energy: -559.936
Base-Backbone interact. energy: 5.667
local terms energy: -676.221909
where:
bonds (distance) C4'-P energy: -133.917
bonds (distance) P-C4' energy: -138.587
flat angles C4'-P-C4' energy: -164.036
flat angles P-C4'-P energy: -93.972
tors. eta vs tors. theta energy: -145.709
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: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1915.336374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.336374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.077961 (E_RNA)
where:
Base-Base interactions energy: -1327.844
where: short stacking energy: -571.095
Base-Backbone interact. energy: 0.322
local terms energy: -590.555721
where:
bonds (distance) C4'-P energy: -123.238
bonds (distance) P-C4' energy: -117.193
flat angles C4'-P-C4' energy: -133.615
flat angles P-C4'-P energy: -85.901
tors. eta vs tors. theta energy: -130.609
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: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1865.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.673935 (E_RNA)
where:
Base-Base interactions energy: -1229.672
where: short stacking energy: -511.131
Base-Backbone interact. energy: -0.022
local terms energy: -642.980712
where:
bonds (distance) C4'-P energy: -129.737
bonds (distance) P-C4' energy: -153.834
flat angles C4'-P-C4' energy: -127.883
flat angles P-C4'-P energy: -101.682
tors. eta vs tors. theta energy: -129.844
Dist. restrs. and SS energy: 7.134 (S_DIST_RNA)
chem. 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: -2894.673841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.673841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.483409 (E_RNA)
where:
Base-Base interactions energy: -2022.556
where: short stacking energy: -825.074
Base-Backbone interact. energy: -0.565
local terms energy: -872.362417
where:
bonds (distance) C4'-P energy: -164.190
bonds (distance) P-C4' energy: -170.321
flat angles C4'-P-C4' energy: -183.065
flat angles P-C4'-P energy: -114.703
tors. eta vs tors. theta energy: -240.083
Dist. restrs. and SS energy: 0.810 (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: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2822.513231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.513231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.014567 (E_RNA)
where:
Base-Base interactions energy: -1967.392
where: short stacking energy: -797.462
Base-Backbone interact. energy: 1.477
local terms energy: -858.099850
where:
bonds (distance) C4'-P energy: -162.967
bonds (distance) P-C4' energy: -157.942
flat angles C4'-P-C4' energy: -176.859
flat angles P-C4'-P energy: -120.804
tors. eta vs tors. theta energy: -239.528
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2675.323461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.323461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.877903 (E_RNA)
where:
Base-Base interactions energy: -1837.168
where: short stacking energy: -776.196
Base-Backbone interact. energy: -2.086
local terms energy: -837.623370
where:
bonds (distance) C4'-P energy: -131.648
bonds (distance) P-C4' energy: -167.684
flat angles C4'-P-C4' energy: -184.782
flat angles P-C4'-P energy: -123.977
tors. eta vs tors. theta energy: -229.532
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: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2529.520263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.520263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.278685 (E_RNA)
where:
Base-Base interactions energy: -1765.926
where: short stacking energy: -735.533
Base-Backbone interact. energy: 4.189
local terms energy: -769.542022
where:
bonds (distance) C4'-P energy: -132.141
bonds (distance) P-C4' energy: -157.905
flat angles C4'-P-C4' energy: -173.571
flat angles P-C4'-P energy: -99.273
tors. eta vs tors. theta energy: -206.652
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: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2414.407174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.407174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.069492 (E_RNA)
where:
Base-Base interactions energy: -1642.667
where: short stacking energy: -728.079
Base-Backbone interact. energy: 0.973
local terms energy: -774.375500
where:
bonds (distance) C4'-P energy: -135.213
bonds (distance) P-C4' energy: -145.331
flat angles C4'-P-C4' energy: -176.034
flat angles P-C4'-P energy: -106.627
tors. eta vs tors. theta energy: -211.170
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: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2286.562519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.562519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.980117 (E_RNA)
where:
Base-Base interactions energy: -1531.743
where: short stacking energy: -649.823
Base-Backbone interact. energy: -0.207
local terms energy: -757.030030
where:
bonds (distance) C4'-P energy: -152.786
bonds (distance) P-C4' energy: -142.059
flat angles C4'-P-C4' energy: -163.581
flat angles P-C4'-P energy: -121.166
tors. eta vs tors. theta energy: -177.439
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: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2140.692412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.692412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.034621 (E_RNA)
where:
Base-Base interactions energy: -1423.232
where: short stacking energy: -617.564
Base-Backbone interact. energy: -0.515
local terms energy: -719.288063
where:
bonds (distance) C4'-P energy: -145.236
bonds (distance) P-C4' energy: -129.933
flat angles C4'-P-C4' energy: -157.378
flat angles P-C4'-P energy: -106.838
tors. eta vs tors. theta energy: -179.904
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2025.219939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.219939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.699364 (E_RNA)
where:
Base-Base interactions energy: -1367.824
where: short stacking energy: -610.879
Base-Backbone interact. energy: 5.352
local terms energy: -665.227561
where:
bonds (distance) C4'-P energy: -138.628
bonds (distance) P-C4' energy: -132.364
flat angles C4'-P-C4' energy: -153.955
flat angles P-C4'-P energy: -100.269
tors. eta vs tors. theta energy: -140.012
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1938.794451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.794451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.670034 (E_RNA)
where:
Base-Base interactions energy: -1336.646
where: short stacking energy: -548.058
Base-Backbone interact. energy: 5.553
local terms energy: -610.577583
where:
bonds (distance) C4'-P energy: -119.531
bonds (distance) P-C4' energy: -139.976
flat angles C4'-P-C4' energy: -137.972
flat angles P-C4'-P energy: -78.616
tors. eta vs tors. theta energy: -134.482
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: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1832.438667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.438667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.404013 (E_RNA)
where:
Base-Base interactions energy: -1253.714
where: short stacking energy: -541.332
Base-Backbone interact. energy: 1.142
local terms energy: -589.831511
where:
bonds (distance) C4'-P energy: -117.660
bonds (distance) P-C4' energy: -109.584
flat angles C4'-P-C4' energy: -133.580
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -143.140
Dist. restrs. and SS energy: 9.965 (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: 271
Temperature: 0.900000
Total energy: -2863.443224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.443224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.141338 (E_RNA)
where:
Base-Base interactions energy: -1994.811
where: short stacking energy: -837.748
Base-Backbone interact. energy: -3.682
local terms energy: -865.648533
where:
bonds (distance) C4'-P energy: -157.062
bonds (distance) P-C4' energy: -168.091
flat angles C4'-P-C4' energy: -183.838
flat angles P-C4'-P energy: -124.394
tors. eta vs tors. theta energy: -232.264
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: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2797.445584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.445584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.253349 (E_RNA)
where:
Base-Base interactions energy: -1940.801
where: short stacking energy: -766.075
Base-Backbone interact. energy: -5.019
local terms energy: -852.433323
where:
bonds (distance) C4'-P energy: -156.813
bonds (distance) P-C4' energy: -159.149
flat angles C4'-P-C4' energy: -187.632
flat angles P-C4'-P energy: -115.119
tors. eta vs tors. theta energy: -233.720
Dist. restrs. and SS energy: 0.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2683.168868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.168868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.164072 (E_RNA)
where:
Base-Base interactions energy: -1841.968
where: short stacking energy: -776.376
Base-Backbone interact. energy: -1.119
local terms energy: -842.076457
where:
bonds (distance) C4'-P energy: -162.582
bonds (distance) P-C4' energy: -142.385
flat angles C4'-P-C4' energy: -189.933
flat angles P-C4'-P energy: -105.976
tors. eta vs tors. theta energy: -241.201
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: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2480.540825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.540825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.681236 (E_RNA)
where:
Base-Base interactions energy: -1694.497
where: short stacking energy: -740.177
Base-Backbone interact. energy: 1.166
local terms energy: -790.350466
where:
bonds (distance) C4'-P energy: -142.974
bonds (distance) P-C4' energy: -156.830
flat angles C4'-P-C4' energy: -174.417
flat angles P-C4'-P energy: -112.922
tors. eta vs tors. theta energy: -203.208
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: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2445.748906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.748906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.285174 (E_RNA)
where:
Base-Base interactions energy: -1669.252
where: short stacking energy: -691.926
Base-Backbone interact. energy: -1.915
local terms energy: -776.118091
where:
bonds (distance) C4'-P energy: -133.002
bonds (distance) P-C4' energy: -155.367
flat angles C4'-P-C4' energy: -176.321
flat angles P-C4'-P energy: -111.852
tors. eta vs tors. theta energy: -199.575
Dist. restrs. and SS energy: 1.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2281.919828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.919828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.564946 (E_RNA)
where:
Base-Base interactions energy: -1575.207
where: short stacking energy: -669.681
Base-Backbone interact. energy: 2.346
local terms energy: -711.704481
where:
bonds (distance) C4'-P energy: -133.032
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -171.236
flat angles P-C4'-P energy: -113.003
tors. eta vs tors. theta energy: -177.202
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: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2177.867482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.867482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.684986 (E_RNA)
where:
Base-Base interactions energy: -1466.716
where: short stacking energy: -637.420
Base-Backbone interact. energy: 1.995
local terms energy: -715.963805
where:
bonds (distance) C4'-P energy: -131.424
bonds (distance) P-C4' energy: -143.667
flat angles C4'-P-C4' energy: -161.174
flat angles P-C4'-P energy: -101.664
tors. eta vs tors. theta energy: -178.035
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: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1977.031883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.031883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.980815 (E_RNA)
where:
Base-Base interactions energy: -1343.520
where: short stacking energy: -567.103
Base-Backbone interact. energy: 6.567
local terms energy: -642.027487
where:
bonds (distance) C4'-P energy: -126.245
bonds (distance) P-C4' energy: -129.024
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -78.052
tors. eta vs tors. theta energy: -157.040
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1911.286458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.286458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.982644 (E_RNA)
where:
Base-Base interactions energy: -1270.140
where: short stacking energy: -524.963
Base-Backbone interact. energy: -1.901
local terms energy: -641.941623
where:
bonds (distance) C4'-P energy: -115.668
bonds (distance) P-C4' energy: -123.928
flat angles C4'-P-C4' energy: -152.236
flat angles P-C4'-P energy: -107.499
tors. eta vs tors. theta energy: -142.610
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1859.768669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.768669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.251447 (E_RNA)
where:
Base-Base interactions energy: -1269.442
where: short stacking energy: -501.626
Base-Backbone interact. energy: 3.652
local terms energy: -596.461225
where:
bonds (distance) C4'-P energy: -122.909
bonds (distance) P-C4' energy: -127.780
flat angles C4'-P-C4' energy: -133.728
flat angles P-C4'-P energy: -87.626
tors. eta vs tors. theta energy: -124.417
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: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2921.121543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.121543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.639412 (E_RNA)
where:
Base-Base interactions energy: -2065.753
where: short stacking energy: -851.785
Base-Backbone interact. energy: -3.158
local terms energy: -853.728206
where:
bonds (distance) C4'-P energy: -160.732
bonds (distance) P-C4' energy: -152.284
flat angles C4'-P-C4' energy: -179.628
flat angles P-C4'-P energy: -113.715
tors. eta vs tors. theta energy: -247.368
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: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2812.818242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.818242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.033593 (E_RNA)
where:
Base-Base interactions energy: -1952.052
where: short stacking energy: -806.278
Base-Backbone interact. energy: -3.522
local terms energy: -859.459752
where:
bonds (distance) C4'-P energy: -151.671
bonds (distance) P-C4' energy: -153.343
flat angles C4'-P-C4' energy: -179.952
flat angles P-C4'-P energy: -133.607
tors. eta vs tors. theta energy: -240.887
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: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2654.802663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.802663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.345443 (E_RNA)
where:
Base-Base interactions energy: -1839.754
where: short stacking energy: -778.441
Base-Backbone interact. energy: -2.583
local terms energy: -814.007783
where:
bonds (distance) C4'-P energy: -139.497
bonds (distance) P-C4' energy: -142.252
flat angles C4'-P-C4' energy: -175.778
flat angles P-C4'-P energy: -120.884
tors. eta vs tors. theta energy: -235.596
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2504.672979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.672979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.988456 (E_RNA)
where:
Base-Base interactions energy: -1709.607
where: short stacking energy: -738.244
Base-Backbone interact. energy: 5.186
local terms energy: -803.568144
where:
bonds (distance) C4'-P energy: -152.603
bonds (distance) P-C4' energy: -145.887
flat angles C4'-P-C4' energy: -181.968
flat angles P-C4'-P energy: -104.197
tors. eta vs tors. theta energy: -218.914
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: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2433.741193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.741193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.076520 (E_RNA)
where:
Base-Base interactions energy: -1673.836
where: short stacking energy: -697.250
Base-Backbone interact. energy: -2.855
local terms energy: -759.384980
where:
bonds (distance) C4'-P energy: -140.301
bonds (distance) P-C4' energy: -163.118
flat angles C4'-P-C4' energy: -161.537
flat angles P-C4'-P energy: -96.327
tors. eta vs tors. theta energy: -198.102
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2287.926968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.926968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.119380 (E_RNA)
where:
Base-Base interactions energy: -1581.552
where: short stacking energy: -661.057
Base-Backbone interact. energy: 0.213
local terms energy: -708.780308
where:
bonds (distance) C4'-P energy: -126.323
bonds (distance) P-C4' energy: -140.166
flat angles C4'-P-C4' energy: -164.498
flat angles P-C4'-P energy: -90.619
tors. eta vs tors. theta energy: -187.174
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2121.482065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.482065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.141741 (E_RNA)
where:
Base-Base interactions energy: -1450.309
where: short stacking energy: -629.195
Base-Backbone interact. energy: 1.490
local terms energy: -674.323080
where:
bonds (distance) C4'-P energy: -129.120
bonds (distance) P-C4' energy: -131.687
flat angles C4'-P-C4' energy: -135.204
flat angles P-C4'-P energy: -116.255
tors. eta vs tors. theta energy: -162.057
Dist. restrs. and SS energy: 1.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1983.729804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.729804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.675236 (E_RNA)
where:
Base-Base interactions energy: -1339.281
where: short stacking energy: -541.901
Base-Backbone interact. energy: 6.409
local terms energy: -654.802555
where:
bonds (distance) C4'-P energy: -135.002
bonds (distance) P-C4' energy: -126.281
flat angles C4'-P-C4' energy: -148.430
flat angles P-C4'-P energy: -99.611
tors. eta vs tors. theta energy: -145.478
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1926.986964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.986964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.722546 (E_RNA)
where:
Base-Base interactions energy: -1293.944
where: short stacking energy: -533.345
Base-Backbone interact. energy: 2.697
local terms energy: -640.474957
where:
bonds (distance) C4'-P energy: -133.977
bonds (distance) P-C4' energy: -143.649
flat angles C4'-P-C4' energy: -123.652
flat angles P-C4'-P energy: -102.626
tors. eta vs tors. theta energy: -136.571
Dist. restrs. and SS energy: 4.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1821.313493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.313493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.997577 (E_RNA)
where:
Base-Base interactions energy: -1220.274
where: short stacking energy: -489.857
Base-Backbone interact. energy: 1.160
local terms energy: -605.883582
where:
bonds (distance) C4'-P energy: -125.855
bonds (distance) P-C4' energy: -134.476
flat angles C4'-P-C4' energy: -145.534
flat angles P-C4'-P energy: -91.116
tors. eta vs tors. theta energy: -108.902
Dist. restrs. and SS energy: 3.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2901.320985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.320985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.783456 (E_RNA)
where:
Base-Base interactions energy: -2016.445
where: short stacking energy: -809.105
Base-Backbone interact. energy: -1.887
local terms energy: -884.451159
where:
bonds (distance) C4'-P energy: -162.764
bonds (distance) P-C4' energy: -162.572
flat angles C4'-P-C4' energy: -184.891
flat angles P-C4'-P energy: -126.010
tors. eta vs tors. theta energy: -248.214
Dist. restrs. and SS energy: 1.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2818.787392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.787392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.744420 (E_RNA)
where:
Base-Base interactions energy: -1951.690
where: short stacking energy: -827.644
Base-Backbone interact. energy: 1.118
local terms energy: -870.172677
where:
bonds (distance) C4'-P energy: -161.440
bonds (distance) P-C4' energy: -171.601
flat angles C4'-P-C4' energy: -179.887
flat angles P-C4'-P energy: -115.139
tors. eta vs tors. theta energy: -242.105
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: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2710.332495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.332495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.067335 (E_RNA)
where:
Base-Base interactions energy: -1871.376
where: short stacking energy: -788.768
Base-Backbone interact. energy: 0.470
local terms energy: -840.161249
where:
bonds (distance) C4'-P energy: -148.359
bonds (distance) P-C4' energy: -149.535
flat angles C4'-P-C4' energy: -178.778
flat angles P-C4'-P energy: -130.763
tors. eta vs tors. theta energy: -232.727
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2456.441963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.441963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.213973 (E_RNA)
where:
Base-Base interactions energy: -1684.070
where: short stacking energy: -742.289
Base-Backbone interact. energy: -3.452
local terms energy: -771.691438
where:
bonds (distance) C4'-P energy: -134.456
bonds (distance) P-C4' energy: -128.372
flat angles C4'-P-C4' energy: -179.780
flat angles P-C4'-P energy: -109.604
tors. eta vs tors. theta energy: -219.479
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2464.103159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.103159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.434719 (E_RNA)
where:
Base-Base interactions energy: -1713.574
where: short stacking energy: -702.485
Base-Backbone interact. energy: 2.405
local terms energy: -754.266100
where:
bonds (distance) C4'-P energy: -144.611
bonds (distance) P-C4' energy: -143.900
flat angles C4'-P-C4' energy: -170.000
flat angles P-C4'-P energy: -94.038
tors. eta vs tors. theta energy: -201.717
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: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2281.806973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.806973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.416471 (E_RNA)
where:
Base-Base interactions energy: -1550.664
where: short stacking energy: -652.653
Base-Backbone interact. energy: 1.322
local terms energy: -736.074621
where:
bonds (distance) C4'-P energy: -151.435
bonds (distance) P-C4' energy: -141.517
flat angles C4'-P-C4' energy: -163.804
flat angles P-C4'-P energy: -99.527
tors. eta vs tors. theta energy: -179.791
Dist. restrs. and SS energy: 3.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2072.129895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.129895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.567802 (E_RNA)
where:
Base-Base interactions energy: -1412.272
where: short stacking energy: -613.651
Base-Backbone interact. energy: -0.766
local terms energy: -660.529506
where:
bonds (distance) C4'-P energy: -136.051
bonds (distance) P-C4' energy: -127.532
flat angles C4'-P-C4' energy: -138.934
flat angles P-C4'-P energy: -89.762
tors. eta vs tors. theta energy: -168.250
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: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -2012.371330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.371330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.393506 (E_RNA)
where:
Base-Base interactions energy: -1353.781
where: short stacking energy: -569.548
Base-Backbone interact. energy: 3.615
local terms energy: -664.227923
where:
bonds (distance) C4'-P energy: -133.293
bonds (distance) P-C4' energy: -131.850
flat angles C4'-P-C4' energy: -145.724
flat angles P-C4'-P energy: -89.793
tors. eta vs tors. theta energy: -163.568
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1876.191407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.191407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.546961 (E_RNA)
where:
Base-Base interactions energy: -1269.919
where: short stacking energy: -538.679
Base-Backbone interact. energy: -0.347
local terms energy: -609.281047
where:
bonds (distance) C4'-P energy: -138.625
bonds (distance) P-C4' energy: -110.009
flat angles C4'-P-C4' energy: -138.161
flat angles P-C4'-P energy: -96.959
tors. eta vs tors. theta energy: -125.528
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1856.730529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.730529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.692671 (E_RNA)
where:
Base-Base interactions energy: -1271.184
where: short stacking energy: -511.431
Base-Backbone interact. energy: 2.521
local terms energy: -591.029595
where:
bonds (distance) C4'-P energy: -107.510
bonds (distance) P-C4' energy: -120.409
flat angles C4'-P-C4' energy: -134.463
flat angles P-C4'-P energy: -90.980
tors. eta vs tors. theta energy: -137.667
Dist. restrs. and SS energy: 2.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2948.401310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.401310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.642365 (E_RNA)
where:
Base-Base interactions energy: -2052.220
where: short stacking energy: -854.318
Base-Backbone interact. energy: -2.553
local terms energy: -894.869298
where:
bonds (distance) C4'-P energy: -165.511
bonds (distance) P-C4' energy: -154.820
flat angles C4'-P-C4' energy: -188.416
flat angles P-C4'-P energy: -136.740
tors. eta vs tors. theta energy: -249.382
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: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2804.156286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.156286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.388635 (E_RNA)
where:
Base-Base interactions energy: -1954.153
where: short stacking energy: -795.176
Base-Backbone interact. energy: -3.978
local terms energy: -848.257833
where:
bonds (distance) C4'-P energy: -143.965
bonds (distance) P-C4' energy: -157.749
flat angles C4'-P-C4' energy: -193.784
flat angles P-C4'-P energy: -119.265
tors. eta vs tors. theta energy: -233.495
Dist. restrs. and SS energy: 2.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2693.682859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.682859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.434210 (E_RNA)
where:
Base-Base interactions energy: -1855.678
where: short stacking energy: -765.774
Base-Backbone interact. energy: -0.415
local terms energy: -839.341169
where:
bonds (distance) C4'-P energy: -164.303
bonds (distance) P-C4' energy: -153.219
flat angles C4'-P-C4' energy: -179.912
flat angles P-C4'-P energy: -120.234
tors. eta vs tors. theta energy: -221.674
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: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2504.897473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.897473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.981760 (E_RNA)
where:
Base-Base interactions energy: -1702.367
where: short stacking energy: -734.923
Base-Backbone interact. energy: 0.608
local terms energy: -804.222703
where:
bonds (distance) C4'-P energy: -152.547
bonds (distance) P-C4' energy: -152.855
flat angles C4'-P-C4' energy: -180.571
flat angles P-C4'-P energy: -101.263
tors. eta vs tors. theta energy: -216.986
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: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2437.106154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.106154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.935680 (E_RNA)
where:
Base-Base interactions energy: -1702.261
where: short stacking energy: -709.456
Base-Backbone interact. energy: 5.358
local terms energy: -742.033010
where:
bonds (distance) C4'-P energy: -135.202
bonds (distance) P-C4' energy: -128.739
flat angles C4'-P-C4' energy: -166.826
flat angles P-C4'-P energy: -108.026
tors. eta vs tors. theta energy: -203.240
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: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2309.937338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.937338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.084821 (E_RNA)
where:
Base-Base interactions energy: -1556.307
where: short stacking energy: -636.106
Base-Backbone interact. energy: -0.784
local terms energy: -754.993590
where:
bonds (distance) C4'-P energy: -131.861
bonds (distance) P-C4' energy: -148.370
flat angles C4'-P-C4' energy: -190.472
flat angles P-C4'-P energy: -85.591
tors. eta vs tors. theta energy: -198.698
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2066.028748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.028748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.619981 (E_RNA)
where:
Base-Base interactions energy: -1368.196
where: short stacking energy: -603.989
Base-Backbone interact. energy: -0.976
local terms energy: -699.447182
where:
bonds (distance) C4'-P energy: -123.512
bonds (distance) P-C4' energy: -143.101
flat angles C4'-P-C4' energy: -146.345
flat angles P-C4'-P energy: -107.773
tors. eta vs tors. theta energy: -178.717
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2041.575046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.575046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.916861 (E_RNA)
where:
Base-Base interactions energy: -1369.523
where: short stacking energy: -589.641
Base-Backbone interact. energy: 5.859
local terms energy: -680.252542
where:
bonds (distance) C4'-P energy: -132.097
bonds (distance) P-C4' energy: -128.937
flat angles C4'-P-C4' energy: -155.117
flat angles P-C4'-P energy: -100.968
tors. eta vs tors. theta energy: -163.134
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1944.290277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.290277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.795184 (E_RNA)
where:
Base-Base interactions energy: -1315.773
where: short stacking energy: -567.845
Base-Backbone interact. energy: -0.695
local terms energy: -630.326822
where:
bonds (distance) C4'-P energy: -137.655
bonds (distance) P-C4' energy: -127.086
flat angles C4'-P-C4' energy: -129.830
flat angles P-C4'-P energy: -92.970
tors. eta vs tors. theta energy: -142.786
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: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1851.926086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.926086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.021911 (E_RNA)
where:
Base-Base interactions energy: -1250.987
where: short stacking energy: -513.594
Base-Backbone interact. energy: -1.189
local terms energy: -602.845631
where:
bonds (distance) C4'-P energy: -124.451
bonds (distance) P-C4' energy: -131.274
flat angles C4'-P-C4' energy: -135.043
flat angles P-C4'-P energy: -88.350
tors. eta vs tors. theta energy: -123.727
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2938.288849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.288849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.767405 (E_RNA)
where:
Base-Base interactions energy: -2047.525
where: short stacking energy: -828.919
Base-Backbone interact. energy: -2.531
local terms energy: -889.711529
where:
bonds (distance) C4'-P energy: -160.696
bonds (distance) P-C4' energy: -156.830
flat angles C4'-P-C4' energy: -189.561
flat angles P-C4'-P energy: -133.437
tors. eta vs tors. theta energy: -249.188
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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2842.270657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.270657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.253821 (E_RNA)
where:
Base-Base interactions energy: -1964.873
where: short stacking energy: -790.943
Base-Backbone interact. energy: 0.707
local terms energy: -881.088353
where:
bonds (distance) C4'-P energy: -166.905
bonds (distance) P-C4' energy: -173.170
flat angles C4'-P-C4' energy: -182.646
flat angles P-C4'-P energy: -126.431
tors. eta vs tors. theta energy: -231.936
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: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2723.249818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.249818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.447537 (E_RNA)
where:
Base-Base interactions energy: -1875.539
where: short stacking energy: -804.372
Base-Backbone interact. energy: 0.451
local terms energy: -850.360200
where:
bonds (distance) C4'-P energy: -151.421
bonds (distance) P-C4' energy: -149.447
flat angles C4'-P-C4' energy: -190.400
flat angles P-C4'-P energy: -116.553
tors. eta vs tors. theta energy: -242.540
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2476.933399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.933399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.810025 (E_RNA)
where:
Base-Base interactions energy: -1704.108
where: short stacking energy: -739.305
Base-Backbone interact. energy: -3.695
local terms energy: -771.007411
where:
bonds (distance) C4'-P energy: -145.379
bonds (distance) P-C4' energy: -136.352
flat angles C4'-P-C4' energy: -171.197
flat angles P-C4'-P energy: -105.697
tors. eta vs tors. theta energy: -212.383
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2424.701768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.701768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.746632 (E_RNA)
where:
Base-Base interactions energy: -1646.641
where: short stacking energy: -704.882
Base-Backbone interact. energy: 2.543
local terms energy: -783.648501
where:
bonds (distance) C4'-P energy: -161.828
bonds (distance) P-C4' energy: -141.613
flat angles C4'-P-C4' energy: -169.430
flat angles P-C4'-P energy: -104.584
tors. eta vs tors. theta energy: -206.193
Dist. restrs. and SS energy: 3.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2273.641461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.641461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.548047 (E_RNA)
where:
Base-Base interactions energy: -1589.310
where: short stacking energy: -701.690
Base-Backbone interact. energy: -0.827
local terms energy: -685.410917
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -131.409
flat angles C4'-P-C4' energy: -148.791
flat angles P-C4'-P energy: -100.852
tors. eta vs tors. theta energy: -181.157
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: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2103.257800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.257800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.674812 (E_RNA)
where:
Base-Base interactions energy: -1430.345
where: short stacking energy: -629.059
Base-Backbone interact. energy: -1.315
local terms energy: -674.014718
where:
bonds (distance) C4'-P energy: -118.416
bonds (distance) P-C4' energy: -134.824
flat angles C4'-P-C4' energy: -156.824
flat angles P-C4'-P energy: -93.081
tors. eta vs tors. theta energy: -170.870
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2042.047473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.047473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.639632 (E_RNA)
where:
Base-Base interactions energy: -1395.793
where: short stacking energy: -563.457
Base-Backbone interact. energy: 5.065
local terms energy: -652.911535
where:
bonds (distance) C4'-P energy: -121.566
bonds (distance) P-C4' energy: -146.240
flat angles C4'-P-C4' energy: -150.634
flat angles P-C4'-P energy: -78.454
tors. eta vs tors. theta energy: -156.018
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1928.533358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.533358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.584492 (E_RNA)
where:
Base-Base interactions energy: -1311.585
where: short stacking energy: -553.001
Base-Backbone interact. energy: 5.606
local terms energy: -631.605992
where:
bonds (distance) C4'-P energy: -124.216
bonds (distance) P-C4' energy: -129.672
flat angles C4'-P-C4' energy: -147.406
flat angles P-C4'-P energy: -101.971
tors. eta vs tors. theta energy: -128.342
Dist. restrs. and SS energy: 9.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1886.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.570687 (E_RNA)
where:
Base-Base interactions energy: -1277.622
where: short stacking energy: -532.676
Base-Backbone interact. energy: -1.769
local terms energy: -610.179367
where:
bonds (distance) C4'-P energy: -128.157
bonds (distance) P-C4' energy: -131.026
flat angles C4'-P-C4' energy: -140.614
flat angles P-C4'-P energy: -69.463
tors. eta vs tors. theta energy: -140.920
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2894.166217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.166217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.747186 (E_RNA)
where:
Base-Base interactions energy: -1990.260
where: short stacking energy: -821.945
Base-Backbone interact. energy: -1.926
local terms energy: -903.561257
where:
bonds (distance) C4'-P energy: -164.109
bonds (distance) P-C4' energy: -167.285
flat angles C4'-P-C4' energy: -193.026
flat angles P-C4'-P energy: -135.669
tors. eta vs tors. theta energy: -243.473
Dist. restrs. and SS energy: 1.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2828.546940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.546940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.956705 (E_RNA)
where:
Base-Base interactions energy: -1958.547
where: short stacking energy: -811.986
Base-Backbone interact. energy: -6.317
local terms energy: -865.093024
where:
bonds (distance) C4'-P energy: -155.150
bonds (distance) P-C4' energy: -168.594
flat angles C4'-P-C4' energy: -190.332
flat angles P-C4'-P energy: -107.940
tors. eta vs tors. theta energy: -243.077
Dist. restrs. and SS energy: 1.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2706.374981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.374981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.058689 (E_RNA)
where:
Base-Base interactions energy: -1844.916
where: short stacking energy: -783.530
Base-Backbone interact. energy: -4.524
local terms energy: -858.618688
where:
bonds (distance) C4'-P energy: -154.283
bonds (distance) P-C4' energy: -168.144
flat angles C4'-P-C4' energy: -189.553
flat angles P-C4'-P energy: -115.890
tors. eta vs tors. theta energy: -230.748
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2466.714623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.714623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.548732 (E_RNA)
where:
Base-Base interactions energy: -1695.543
where: short stacking energy: -732.934
Base-Backbone interact. energy: -1.506
local terms energy: -771.499411
where:
bonds (distance) C4'-P energy: -155.191
bonds (distance) P-C4' energy: -139.071
flat angles C4'-P-C4' energy: -165.475
flat angles P-C4'-P energy: -98.981
tors. eta vs tors. theta energy: -212.780
Dist. restrs. and SS energy: 1.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2396.106707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.106707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.490660 (E_RNA)
where:
Base-Base interactions energy: -1633.051
where: short stacking energy: -702.226
Base-Backbone interact. energy: 4.038
local terms energy: -768.477155
where:
bonds (distance) C4'-P energy: -137.621
bonds (distance) P-C4' energy: -144.995
flat angles C4'-P-C4' energy: -180.498
flat angles P-C4'-P energy: -106.825
tors. eta vs tors. theta energy: -198.538
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: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2279.168763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.168763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.866829 (E_RNA)
where:
Base-Base interactions energy: -1538.751
where: short stacking energy: -657.707
Base-Backbone interact. energy: -3.008
local terms energy: -740.107808
where:
bonds (distance) C4'-P energy: -134.401
bonds (distance) P-C4' energy: -149.282
flat angles C4'-P-C4' energy: -171.156
flat angles P-C4'-P energy: -111.678
tors. eta vs tors. theta energy: -173.592
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: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2118.451527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.451527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.995528 (E_RNA)
where:
Base-Base interactions energy: -1398.388
where: short stacking energy: -603.878
Base-Backbone interact. energy: -0.418
local terms energy: -723.190348
where:
bonds (distance) C4'-P energy: -158.806
bonds (distance) P-C4' energy: -139.407
flat angles C4'-P-C4' energy: -166.726
flat angles P-C4'-P energy: -97.215
tors. eta vs tors. theta energy: -161.037
Dist. restrs. and SS energy: 3.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2008.833809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.833809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.662573 (E_RNA)
where:
Base-Base interactions energy: -1376.352
where: short stacking energy: -594.233
Base-Backbone interact. energy: 12.295
local terms energy: -647.605148
where:
bonds (distance) C4'-P energy: -130.568
bonds (distance) P-C4' energy: -114.819
flat angles C4'-P-C4' energy: -160.790
flat angles P-C4'-P energy: -98.212
tors. eta vs tors. theta energy: -143.216
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: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1919.397714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.397714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.238749 (E_RNA)
where:
Base-Base interactions energy: -1329.677
where: short stacking energy: -545.218
Base-Backbone interact. energy: 2.936
local terms energy: -598.498232
where:
bonds (distance) C4'-P energy: -125.897
bonds (distance) P-C4' energy: -131.894
flat angles C4'-P-C4' energy: -117.812
flat angles P-C4'-P energy: -95.247
tors. eta vs tors. theta energy: -127.648
Dist. restrs. and SS energy: 5.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1856.430342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.430342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.232279 (E_RNA)
where:
Base-Base interactions energy: -1249.903
where: short stacking energy: -530.520
Base-Backbone interact. energy: 0.518
local terms energy: -611.847462
where:
bonds (distance) C4'-P energy: -131.887
bonds (distance) P-C4' energy: -119.990
flat angles C4'-P-C4' energy: -145.940
flat angles P-C4'-P energy: -74.976
tors. eta vs tors. theta energy: -139.054
Dist. restrs. and SS energy: 4.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2887.274455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.274455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.399380 (E_RNA)
where:
Base-Base interactions energy: -2016.504
where: short stacking energy: -833.493
Base-Backbone interact. energy: 0.747
local terms energy: -873.642338
where:
bonds (distance) C4'-P energy: -172.454
bonds (distance) P-C4' energy: -168.841
flat angles C4'-P-C4' energy: -185.626
flat angles P-C4'-P energy: -108.322
tors. eta vs tors. theta energy: -238.399
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2842.567101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.567101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.288439 (E_RNA)
where:
Base-Base interactions energy: -1957.450
where: short stacking energy: -844.285
Base-Backbone interact. energy: -0.523
local terms energy: -887.315490
where:
bonds (distance) C4'-P energy: -158.021
bonds (distance) P-C4' energy: -175.884
flat angles C4'-P-C4' energy: -183.967
flat angles P-C4'-P energy: -119.457
tors. eta vs tors. theta energy: -249.986
Dist. restrs. and SS energy: 2.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2699.125766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.125766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.898705 (E_RNA)
where:
Base-Base interactions energy: -1875.363
where: short stacking energy: -796.171
Base-Backbone interact. energy: 0.465
local terms energy: -826.001050
where:
bonds (distance) C4'-P energy: -145.507
bonds (distance) P-C4' energy: -151.809
flat angles C4'-P-C4' energy: -177.073
flat angles P-C4'-P energy: -116.475
tors. eta vs tors. theta energy: -235.137
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2458.440492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.440492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.518734 (E_RNA)
where:
Base-Base interactions energy: -1670.770
where: short stacking energy: -699.828
Base-Backbone interact. energy: 0.065
local terms energy: -789.814546
where:
bonds (distance) C4'-P energy: -152.714
bonds (distance) P-C4' energy: -154.235
flat angles C4'-P-C4' energy: -167.285
flat angles P-C4'-P energy: -123.709
tors. eta vs tors. theta energy: -191.873
Dist. restrs. and SS energy: 2.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2378.975365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.975365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.691265 (E_RNA)
where:
Base-Base interactions energy: -1633.076
where: short stacking energy: -699.156
Base-Backbone interact. energy: 0.184
local terms energy: -747.799860
where:
bonds (distance) C4'-P energy: -123.240
bonds (distance) P-C4' energy: -150.232
flat angles C4'-P-C4' energy: -161.469
flat angles P-C4'-P energy: -114.748
tors. eta vs tors. theta energy: -198.111
Dist. restrs. and SS energy: 1.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2316.057611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.057611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.305362 (E_RNA)
where:
Base-Base interactions energy: -1559.858
where: short stacking energy: -672.286
Base-Backbone interact. energy: 0.974
local terms energy: -759.420547
where:
bonds (distance) C4'-P energy: -155.409
bonds (distance) P-C4' energy: -138.670
flat angles C4'-P-C4' energy: -171.912
flat angles P-C4'-P energy: -110.738
tors. eta vs tors. theta energy: -182.692
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: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2067.441919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.441919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.477147 (E_RNA)
where:
Base-Base interactions energy: -1392.293
where: short stacking energy: -640.520
Base-Backbone interact. energy: 1.977
local terms energy: -679.160732
where:
bonds (distance) C4'-P energy: -123.214
bonds (distance) P-C4' energy: -146.680
flat angles C4'-P-C4' energy: -140.259
flat angles P-C4'-P energy: -95.699
tors. eta vs tors. theta energy: -173.309
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: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1998.884290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.884290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.519386 (E_RNA)
where:
Base-Base interactions energy: -1373.606
where: short stacking energy: -585.911
Base-Backbone interact. energy: 4.509
local terms energy: -631.422838
where:
bonds (distance) C4'-P energy: -126.332
bonds (distance) P-C4' energy: -132.669
flat angles C4'-P-C4' energy: -153.590
flat angles P-C4'-P energy: -76.612
tors. eta vs tors. theta energy: -142.221
Dist. restrs. and SS energy: 1.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1920.226368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.226368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.415538 (E_RNA)
where:
Base-Base interactions energy: -1286.085
where: short stacking energy: -545.655
Base-Backbone interact. energy: 5.753
local terms energy: -642.083691
where:
bonds (distance) C4'-P energy: -106.788
bonds (distance) P-C4' energy: -150.599
flat angles C4'-P-C4' energy: -136.471
flat angles P-C4'-P energy: -103.191
tors. eta vs tors. theta energy: -145.035
Dist. restrs. and SS energy: 2.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1918.325079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.325079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.647500 (E_RNA)
where:
Base-Base interactions energy: -1300.750
where: short stacking energy: -528.512
Base-Backbone interact. energy: 1.814
local terms energy: -620.711429
where:
bonds (distance) C4'-P energy: -128.481
bonds (distance) P-C4' energy: -133.937
flat angles C4'-P-C4' energy: -129.557
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -159.718
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: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2872.540956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.540956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.656924 (E_RNA)
where:
Base-Base interactions energy: -1998.436
where: short stacking energy: -846.383
Base-Backbone interact. energy: -3.405
local terms energy: -871.815629
where:
bonds (distance) C4'-P energy: -153.310
bonds (distance) P-C4' energy: -160.093
flat angles C4'-P-C4' energy: -193.450
flat angles P-C4'-P energy: -121.199
tors. eta vs tors. theta energy: -243.763
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2824.780971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.780971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.546824 (E_RNA)
where:
Base-Base interactions energy: -1952.231
where: short stacking energy: -806.347
Base-Backbone interact. energy: -1.110
local terms energy: -874.205565
where:
bonds (distance) C4'-P energy: -158.210
bonds (distance) P-C4' energy: -168.728
flat angles C4'-P-C4' energy: -191.103
flat angles P-C4'-P energy: -110.955
tors. eta vs tors. theta energy: -245.209
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2650.873906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.873906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.160172 (E_RNA)
where:
Base-Base interactions energy: -1851.584
where: short stacking energy: -782.925
Base-Backbone interact. energy: 2.048
local terms energy: -803.624002
where:
bonds (distance) C4'-P energy: -143.172
bonds (distance) P-C4' energy: -168.913
flat angles C4'-P-C4' energy: -160.928
flat angles P-C4'-P energy: -116.175
tors. eta vs tors. theta energy: -214.436
Dist. restrs. and SS energy: 2.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2462.564828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.564828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.795934 (E_RNA)
where:
Base-Base interactions energy: -1651.950
where: short stacking energy: -726.975
Base-Backbone interact. energy: 3.520
local terms energy: -816.365858
where:
bonds (distance) C4'-P energy: -164.457
bonds (distance) P-C4' energy: -171.952
flat angles C4'-P-C4' energy: -157.696
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -215.920
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2387.919971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.919971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.584125 (E_RNA)
where:
Base-Base interactions energy: -1633.666
where: short stacking energy: -704.551
Base-Backbone interact. energy: 1.168
local terms energy: -759.085653
where:
bonds (distance) C4'-P energy: -152.743
bonds (distance) P-C4' energy: -126.689
flat angles C4'-P-C4' energy: -169.912
flat angles P-C4'-P energy: -106.247
tors. eta vs tors. theta energy: -203.496
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: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2265.783518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.783518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.150580 (E_RNA)
where:
Base-Base interactions energy: -1548.822
where: short stacking energy: -667.221
Base-Backbone interact. energy: 0.202
local terms energy: -719.530672
where:
bonds (distance) C4'-P energy: -130.567
bonds (distance) P-C4' energy: -141.521
flat angles C4'-P-C4' energy: -163.491
flat angles P-C4'-P energy: -94.462
tors. eta vs tors. theta energy: -189.490
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: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2101.328085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.328085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.005882 (E_RNA)
where:
Base-Base interactions energy: -1433.622
where: short stacking energy: -608.235
Base-Backbone interact. energy: 4.807
local terms energy: -675.190185
where:
bonds (distance) C4'-P energy: -142.658
bonds (distance) P-C4' energy: -137.045
flat angles C4'-P-C4' energy: -145.279
flat angles P-C4'-P energy: -94.848
tors. eta vs tors. theta energy: -155.359
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: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1998.913567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.913567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.136005 (E_RNA)
where:
Base-Base interactions energy: -1370.128
where: short stacking energy: -560.636
Base-Backbone interact. energy: 0.389
local terms energy: -631.397282
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -142.940
flat angles C4'-P-C4' energy: -133.364
flat angles P-C4'-P energy: -90.379
tors. eta vs tors. theta energy: -146.377
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: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1981.933392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.933392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.151527 (E_RNA)
where:
Base-Base interactions energy: -1348.738
where: short stacking energy: -567.703
Base-Backbone interact. energy: -4.289
local terms energy: -632.124273
where:
bonds (distance) C4'-P energy: -135.288
bonds (distance) P-C4' energy: -118.084
flat angles C4'-P-C4' energy: -147.437
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -150.039
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: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1887.458213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.458213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.446806 (E_RNA)
where:
Base-Base interactions energy: -1279.087
where: short stacking energy: -532.032
Base-Backbone interact. energy: -1.481
local terms energy: -609.878168
where:
bonds (distance) C4'-P energy: -120.925
bonds (distance) P-C4' energy: -135.962
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -63.672
tors. eta vs tors. theta energy: -135.293
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: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2887.408340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.408340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.978822 (E_RNA)
where:
Base-Base interactions energy: -2004.169
where: short stacking energy: -860.637
Base-Backbone interact. energy: -3.733
local terms energy: -881.077140
where:
bonds (distance) C4'-P energy: -169.546
bonds (distance) P-C4' energy: -161.389
flat angles C4'-P-C4' energy: -173.029
flat angles P-C4'-P energy: -131.399
tors. eta vs tors. theta energy: -245.715
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: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2818.238381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.238381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.364118 (E_RNA)
where:
Base-Base interactions energy: -1961.854
where: short stacking energy: -827.582
Base-Backbone interact. energy: -4.855
local terms energy: -853.655087
where:
bonds (distance) C4'-P energy: -150.939
bonds (distance) P-C4' energy: -159.783
flat angles C4'-P-C4' energy: -172.103
flat angles P-C4'-P energy: -123.641
tors. eta vs tors. theta energy: -247.190
Dist. restrs. and SS energy: 2.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2710.859677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.859677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.107491 (E_RNA)
where:
Base-Base interactions energy: -1864.227
where: short stacking energy: -813.698
Base-Backbone interact. energy: -4.528
local terms energy: -844.351975
where:
bonds (distance) C4'-P energy: -153.979
bonds (distance) P-C4' energy: -155.873
flat angles C4'-P-C4' energy: -180.390
flat angles P-C4'-P energy: -122.903
tors. eta vs tors. theta energy: -231.207
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2471.338222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.338222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.683065 (E_RNA)
where:
Base-Base interactions energy: -1707.886
where: short stacking energy: -723.548
Base-Backbone interact. energy: 0.420
local terms energy: -767.217457
where:
bonds (distance) C4'-P energy: -151.840
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -167.434
flat angles P-C4'-P energy: -103.617
tors. eta vs tors. theta energy: -199.482
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: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2481.319164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.319164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.526306 (E_RNA)
where:
Base-Base interactions energy: -1704.339
where: short stacking energy: -741.529
Base-Backbone interact. energy: 9.993
local terms energy: -790.179948
where:
bonds (distance) C4'-P energy: -140.165
bonds (distance) P-C4' energy: -151.315
flat angles C4'-P-C4' energy: -174.757
flat angles P-C4'-P energy: -113.784
tors. eta vs tors. theta energy: -210.159
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: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2275.507265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.507265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.460922 (E_RNA)
where:
Base-Base interactions energy: -1532.574
where: short stacking energy: -649.167
Base-Backbone interact. energy: -2.294
local terms energy: -743.593154
where:
bonds (distance) C4'-P energy: -138.938
bonds (distance) P-C4' energy: -145.590
flat angles C4'-P-C4' energy: -163.816
flat angles P-C4'-P energy: -108.098
tors. eta vs tors. theta energy: -187.152
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: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2095.627265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.627265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.338446 (E_RNA)
where:
Base-Base interactions energy: -1415.780
where: short stacking energy: -584.450
Base-Backbone interact. energy: 4.423
local terms energy: -686.982103
where:
bonds (distance) C4'-P energy: -132.323
bonds (distance) P-C4' energy: -148.829
flat angles C4'-P-C4' energy: -161.050
flat angles P-C4'-P energy: -90.562
tors. eta vs tors. theta energy: -154.217
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: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2036.788861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.788861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.261049 (E_RNA)
where:
Base-Base interactions energy: -1374.178
where: short stacking energy: -591.762
Base-Backbone interact. energy: 6.490
local terms energy: -671.573030
where:
bonds (distance) C4'-P energy: -118.419
bonds (distance) P-C4' energy: -138.007
flat angles C4'-P-C4' energy: -142.874
flat angles P-C4'-P energy: -109.205
tors. eta vs tors. theta energy: -163.068
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1988.280954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.280954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.789156 (E_RNA)
where:
Base-Base interactions energy: -1380.536
where: short stacking energy: -578.497
Base-Backbone interact. energy: 3.672
local terms energy: -613.925025
where:
bonds (distance) C4'-P energy: -136.563
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -147.347
flat angles P-C4'-P energy: -66.379
tors. eta vs tors. theta energy: -145.881
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: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1854.292027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.292027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.385280 (E_RNA)
where:
Base-Base interactions energy: -1261.879
where: short stacking energy: -534.004
Base-Backbone interact. energy: 1.551
local terms energy: -596.057810
where:
bonds (distance) C4'-P energy: -132.427
bonds (distance) P-C4' energy: -128.412
flat angles C4'-P-C4' energy: -132.290
flat angles P-C4'-P energy: -70.252
tors. eta vs tors. theta energy: -132.676
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2918.777638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.777638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.756490 (E_RNA)
where:
Base-Base interactions energy: -2042.044
where: short stacking energy: -840.975
Base-Backbone interact. energy: -4.823
local terms energy: -873.888966
where:
bonds (distance) C4'-P energy: -160.437
bonds (distance) P-C4' energy: -158.165
flat angles C4'-P-C4' energy: -181.628
flat angles P-C4'-P energy: -133.529
tors. eta vs tors. theta energy: -240.131
Dist. restrs. and SS energy: 1.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2795.687977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.687977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.611916 (E_RNA)
where:
Base-Base interactions energy: -1915.127
where: short stacking energy: -780.603
Base-Backbone interact. energy: -1.869
local terms energy: -880.616448
where:
bonds (distance) C4'-P energy: -169.085
bonds (distance) P-C4' energy: -157.049
flat angles C4'-P-C4' energy: -188.710
flat angles P-C4'-P energy: -128.006
tors. eta vs tors. theta energy: -237.766
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2701.103572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.103572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.179856 (E_RNA)
where:
Base-Base interactions energy: -1872.136
where: short stacking energy: -787.305
Base-Backbone interact. energy: 2.098
local terms energy: -833.142132
where:
bonds (distance) C4'-P energy: -152.799
bonds (distance) P-C4' energy: -161.690
flat angles C4'-P-C4' energy: -163.432
flat angles P-C4'-P energy: -126.593
tors. eta vs tors. theta energy: -228.628
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: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2516.712720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.712720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.181281 (E_RNA)
where:
Base-Base interactions energy: -1724.511
where: short stacking energy: -740.070
Base-Backbone interact. energy: 0.624
local terms energy: -795.293413
where:
bonds (distance) C4'-P energy: -143.578
bonds (distance) P-C4' energy: -150.749
flat angles C4'-P-C4' energy: -169.640
flat angles P-C4'-P energy: -99.959
tors. eta vs tors. theta energy: -231.367
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: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2439.619046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.619046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.834145 (E_RNA)
where:
Base-Base interactions energy: -1675.134
where: short stacking energy: -720.803
Base-Backbone interact. energy: 8.309
local terms energy: -776.009344
where:
bonds (distance) C4'-P energy: -161.592
bonds (distance) P-C4' energy: -143.793
flat angles C4'-P-C4' energy: -173.976
flat angles P-C4'-P energy: -85.135
tors. eta vs tors. theta energy: -211.512
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: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2245.291427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.291427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.332261 (E_RNA)
where:
Base-Base interactions energy: -1514.653
where: short stacking energy: -643.069
Base-Backbone interact. energy: 0.350
local terms energy: -733.029798
where:
bonds (distance) C4'-P energy: -150.980
bonds (distance) P-C4' energy: -144.538
flat angles C4'-P-C4' energy: -158.699
flat angles P-C4'-P energy: -85.816
tors. eta vs tors. theta energy: -192.997
Dist. restrs. and SS energy: 2.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2102.259777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.259777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.751685 (E_RNA)
where:
Base-Base interactions energy: -1421.663
where: short stacking energy: -605.471
Base-Backbone interact. energy: 3.865
local terms energy: -687.953913
where:
bonds (distance) C4'-P energy: -144.814
bonds (distance) P-C4' energy: -149.337
flat angles C4'-P-C4' energy: -146.977
flat angles P-C4'-P energy: -94.757
tors. eta vs tors. theta energy: -152.068
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2008.261066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.261066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.670386 (E_RNA)
where:
Base-Base interactions energy: -1354.254
where: short stacking energy: -561.087
Base-Backbone interact. energy: -0.778
local terms energy: -655.637815
where:
bonds (distance) C4'-P energy: -151.158
bonds (distance) P-C4' energy: -137.336
flat angles C4'-P-C4' energy: -136.837
flat angles P-C4'-P energy: -88.704
tors. eta vs tors. theta energy: -141.603
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1945.098848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.098848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.914774 (E_RNA)
where:
Base-Base interactions energy: -1305.208
where: short stacking energy: -546.804
Base-Backbone interact. energy: -2.518
local terms energy: -641.188934
where:
bonds (distance) C4'-P energy: -136.784
bonds (distance) P-C4' energy: -122.440
flat angles C4'-P-C4' energy: -142.323
flat angles P-C4'-P energy: -88.006
tors. eta vs tors. theta energy: -151.637
Dist. restrs. and SS energy: 3.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -1820.857584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.857584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.847097 (E_RNA)
where:
Base-Base interactions energy: -1255.005
where: short stacking energy: -509.716
Base-Backbone interact. energy: -0.247
local terms energy: -569.595240
where:
bonds (distance) C4'-P energy: -116.585
bonds (distance) P-C4' energy: -135.652
flat angles C4'-P-C4' energy: -123.324
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -113.206
Dist. restrs. and SS energy: 3.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2943.622309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.622309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.102265 (E_RNA)
where:
Base-Base interactions energy: -2072.042
where: short stacking energy: -847.668
Base-Backbone interact. energy: -4.137
local terms energy: -867.922601
where:
bonds (distance) C4'-P energy: -160.358
bonds (distance) P-C4' energy: -156.287
flat angles C4'-P-C4' energy: -181.108
flat angles P-C4'-P energy: -129.976
tors. eta vs tors. theta energy: -240.194
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2769.249525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.249525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.160748 (E_RNA)
where:
Base-Base interactions energy: -1893.930
where: short stacking energy: -791.963
Base-Backbone interact. energy: 0.717
local terms energy: -878.947903
where:
bonds (distance) C4'-P energy: -170.097
bonds (distance) P-C4' energy: -148.937
flat angles C4'-P-C4' energy: -193.804
flat angles P-C4'-P energy: -126.703
tors. eta vs tors. theta energy: -239.408
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: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2614.275397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.275397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.926379 (E_RNA)
where:
Base-Base interactions energy: -1808.631
where: short stacking energy: -778.270
Base-Backbone interact. energy: -1.148
local terms energy: -807.147227
where:
bonds (distance) C4'-P energy: -155.256
bonds (distance) P-C4' energy: -143.147
flat angles C4'-P-C4' energy: -168.098
flat angles P-C4'-P energy: -106.900
tors. eta vs tors. theta energy: -233.746
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2531.353245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.353245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.182286 (E_RNA)
where:
Base-Base interactions energy: -1721.310
where: short stacking energy: -727.249
Base-Backbone interact. energy: -5.809
local terms energy: -806.063610
where:
bonds (distance) C4'-P energy: -149.557
bonds (distance) P-C4' energy: -158.497
flat angles C4'-P-C4' energy: -153.387
flat angles P-C4'-P energy: -120.923
tors. eta vs tors. theta energy: -223.700
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2385.573700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.573700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.061288 (E_RNA)
where:
Base-Base interactions energy: -1621.788
where: short stacking energy: -694.822
Base-Backbone interact. energy: -2.122
local terms energy: -763.150873
where:
bonds (distance) C4'-P energy: -145.773
bonds (distance) P-C4' energy: -157.395
flat angles C4'-P-C4' energy: -157.117
flat angles P-C4'-P energy: -101.047
tors. eta vs tors. theta energy: -201.819
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: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2243.737757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.737757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.762427 (E_RNA)
where:
Base-Base interactions energy: -1537.710
where: short stacking energy: -657.865
Base-Backbone interact. energy: -2.494
local terms energy: -707.557843
where:
bonds (distance) C4'-P energy: -127.202
bonds (distance) P-C4' energy: -130.030
flat angles C4'-P-C4' energy: -155.682
flat angles P-C4'-P energy: -112.601
tors. eta vs tors. theta energy: -182.044
Dist. restrs. and SS energy: 4.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2058.379854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.379854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.107482 (E_RNA)
where:
Base-Base interactions energy: -1386.488
where: short stacking energy: -580.424
Base-Backbone interact. energy: 6.456
local terms energy: -680.075572
where:
bonds (distance) C4'-P energy: -123.595
bonds (distance) P-C4' energy: -134.625
flat angles C4'-P-C4' energy: -170.077
flat angles P-C4'-P energy: -107.411
tors. eta vs tors. theta energy: -144.367
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2030.522656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.522656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.230206 (E_RNA)
where:
Base-Base interactions energy: -1387.745
where: short stacking energy: -576.590
Base-Backbone interact. energy: -2.075
local terms energy: -643.410576
where:
bonds (distance) C4'-P energy: -111.468
bonds (distance) P-C4' energy: -133.776
flat angles C4'-P-C4' energy: -150.116
flat angles P-C4'-P energy: -94.853
tors. eta vs tors. theta energy: -153.197
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: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1920.518321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.518321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.032856 (E_RNA)
where:
Base-Base interactions energy: -1334.178
where: short stacking energy: -556.692
Base-Backbone interact. energy: 5.201
local terms energy: -595.055690
where:
bonds (distance) C4'-P energy: -114.633
bonds (distance) P-C4' energy: -123.735
flat angles C4'-P-C4' energy: -134.419
flat angles P-C4'-P energy: -98.302
tors. eta vs tors. theta energy: -123.966
Dist. restrs. and SS energy: 3.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1892.342078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.342078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.554988 (E_RNA)
where:
Base-Base interactions energy: -1292.119
where: short stacking energy: -553.581
Base-Backbone interact. energy: -0.451
local terms energy: -602.985386
where:
bonds (distance) C4'-P energy: -117.785
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -136.103
flat angles P-C4'-P energy: -87.259
tors. eta vs tors. theta energy: -141.519
Dist. restrs. and SS energy: 3.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2890.602860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.602860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.332761 (E_RNA)
where:
Base-Base interactions energy: -2037.456
where: short stacking energy: -847.131
Base-Backbone interact. energy: 0.954
local terms energy: -855.830939
where:
bonds (distance) C4'-P energy: -152.108
bonds (distance) P-C4' energy: -160.728
flat angles C4'-P-C4' energy: -171.750
flat angles P-C4'-P energy: -126.961
tors. eta vs tors. theta energy: -244.284
Dist. restrs. and SS energy: 1.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2777.786680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.786680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.761552 (E_RNA)
where:
Base-Base interactions energy: -1924.739
where: short stacking energy: -801.716
Base-Backbone interact. energy: 2.052
local terms energy: -856.074231
where:
bonds (distance) C4'-P energy: -143.992
bonds (distance) P-C4' energy: -156.140
flat angles C4'-P-C4' energy: -200.863
flat angles P-C4'-P energy: -121.507
tors. eta vs tors. theta energy: -233.572
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: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2625.897483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.897483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.019309 (E_RNA)
where:
Base-Base interactions energy: -1823.812
where: short stacking energy: -763.006
Base-Backbone interact. energy: 1.394
local terms energy: -804.601263
where:
bonds (distance) C4'-P energy: -151.499
bonds (distance) P-C4' energy: -142.931
flat angles C4'-P-C4' energy: -169.516
flat angles P-C4'-P energy: -120.676
tors. eta vs tors. theta energy: -219.979
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2489.805356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.805356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.519957 (E_RNA)
where:
Base-Base interactions energy: -1685.599
where: short stacking energy: -738.983
Base-Backbone interact. energy: -1.356
local terms energy: -804.564580
where:
bonds (distance) C4'-P energy: -144.236
bonds (distance) P-C4' energy: -152.899
flat angles C4'-P-C4' energy: -176.134
flat angles P-C4'-P energy: -110.754
tors. eta vs tors. theta energy: -220.542
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2405.160560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.160560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.964443 (E_RNA)
where:
Base-Base interactions energy: -1624.300
where: short stacking energy: -708.728
Base-Backbone interact. energy: -1.537
local terms energy: -782.127043
where:
bonds (distance) C4'-P energy: -135.958
bonds (distance) P-C4' energy: -140.228
flat angles C4'-P-C4' energy: -169.195
flat angles P-C4'-P energy: -119.674
tors. eta vs tors. theta energy: -217.072
Dist. restrs. and SS energy: 2.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2263.932289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.932289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.951076 (E_RNA)
where:
Base-Base interactions energy: -1539.418
where: short stacking energy: -656.636
Base-Backbone interact. energy: 3.000
local terms energy: -729.532837
where:
bonds (distance) C4'-P energy: -143.988
bonds (distance) P-C4' energy: -149.262
flat angles C4'-P-C4' energy: -163.321
flat angles P-C4'-P energy: -89.981
tors. eta vs tors. theta energy: -182.981
Dist. restrs. and SS energy: 2.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2097.661417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.661417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.292054 (E_RNA)
where:
Base-Base interactions energy: -1430.838
where: short stacking energy: -620.940
Base-Backbone interact. energy: 1.226
local terms energy: -670.679752
where:
bonds (distance) C4'-P energy: -131.007
bonds (distance) P-C4' energy: -120.866
flat angles C4'-P-C4' energy: -159.895
flat angles P-C4'-P energy: -91.669
tors. eta vs tors. theta energy: -167.243
Dist. restrs. and SS energy: 2.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2008.050779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.050779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.184096 (E_RNA)
where:
Base-Base interactions energy: -1378.064
where: short stacking energy: -571.883
Base-Backbone interact. energy: -1.842
local terms energy: -630.277911
where:
bonds (distance) C4'-P energy: -134.156
bonds (distance) P-C4' energy: -139.103
flat angles C4'-P-C4' energy: -124.069
flat angles P-C4'-P energy: -98.164
tors. eta vs tors. theta energy: -134.786
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1982.365728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.365728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.403211 (E_RNA)
where:
Base-Base interactions energy: -1343.082
where: short stacking energy: -546.024
Base-Backbone interact. energy: -2.773
local terms energy: -638.547750
where:
bonds (distance) C4'-P energy: -135.009
bonds (distance) P-C4' energy: -132.723
flat angles C4'-P-C4' energy: -145.340
flat angles P-C4'-P energy: -83.601
tors. eta vs tors. theta energy: -141.874
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: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1865.932026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.932026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.396843 (E_RNA)
where:
Base-Base interactions energy: -1257.798
where: short stacking energy: -527.219
Base-Backbone interact. energy: 0.106
local terms energy: -609.704708
where:
bonds (distance) C4'-P energy: -126.351
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -152.460
flat angles P-C4'-P energy: -87.171
tors. eta vs tors. theta energy: -121.849
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: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2903.839640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.839640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.809299 (E_RNA)
where:
Base-Base interactions energy: -2021.247
where: short stacking energy: -829.643
Base-Backbone interact. energy: -3.380
local terms energy: -881.182348
where:
bonds (distance) C4'-P energy: -173.011
bonds (distance) P-C4' energy: -152.126
flat angles C4'-P-C4' energy: -184.015
flat angles P-C4'-P energy: -130.619
tors. eta vs tors. theta energy: -241.412
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: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2778.616534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.616534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.543454 (E_RNA)
where:
Base-Base interactions energy: -1919.728
where: short stacking energy: -798.249
Base-Backbone interact. energy: -7.955
local terms energy: -854.859791
where:
bonds (distance) C4'-P energy: -157.096
bonds (distance) P-C4' energy: -153.959
flat angles C4'-P-C4' energy: -173.658
flat angles P-C4'-P energy: -130.118
tors. eta vs tors. theta energy: -240.029
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2635.541081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.541081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.026927 (E_RNA)
where:
Base-Base interactions energy: -1816.949
where: short stacking energy: -740.617
Base-Backbone interact. energy: -3.389
local terms energy: -816.689123
where:
bonds (distance) C4'-P energy: -139.781
bonds (distance) P-C4' energy: -148.787
flat angles C4'-P-C4' energy: -183.883
flat angles P-C4'-P energy: -121.657
tors. eta vs tors. theta energy: -222.581
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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2533.452564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.452564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.478737 (E_RNA)
where:
Base-Base interactions energy: -1730.324
where: short stacking energy: -765.650
Base-Backbone interact. energy: 0.343
local terms energy: -806.497930
where:
bonds (distance) C4'-P energy: -136.394
bonds (distance) P-C4' energy: -163.302
flat angles C4'-P-C4' energy: -167.306
flat angles P-C4'-P energy: -111.615
tors. eta vs tors. theta energy: -227.880
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: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2460.855666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.855666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.665550 (E_RNA)
where:
Base-Base interactions energy: -1686.064
where: short stacking energy: -689.776
Base-Backbone interact. energy: -3.274
local terms energy: -774.327722
where:
bonds (distance) C4'-P energy: -138.400
bonds (distance) P-C4' energy: -155.349
flat angles C4'-P-C4' energy: -168.316
flat angles P-C4'-P energy: -105.876
tors. eta vs tors. theta energy: -206.387
Dist. restrs. and SS energy: 2.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2258.938086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.938086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.506948 (E_RNA)
where:
Base-Base interactions energy: -1512.696
where: short stacking energy: -657.992
Base-Backbone interact. energy: -3.851
local terms energy: -743.960021
where:
bonds (distance) C4'-P energy: -145.596
bonds (distance) P-C4' energy: -146.587
flat angles C4'-P-C4' energy: -156.299
flat angles P-C4'-P energy: -112.578
tors. eta vs tors. theta energy: -182.900
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2138.913140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.913140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.253550 (E_RNA)
where:
Base-Base interactions energy: -1427.024
where: short stacking energy: -647.534
Base-Backbone interact. energy: 5.516
local terms energy: -720.745310
where:
bonds (distance) C4'-P energy: -146.424
bonds (distance) P-C4' energy: -153.584
flat angles C4'-P-C4' energy: -169.947
flat angles P-C4'-P energy: -83.257
tors. eta vs tors. theta energy: -167.533
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: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2016.114098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.114098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.754718 (E_RNA)
where:
Base-Base interactions energy: -1356.730
where: short stacking energy: -583.868
Base-Backbone interact. energy: 1.125
local terms energy: -664.149670
where:
bonds (distance) C4'-P energy: -144.939
bonds (distance) P-C4' energy: -142.091
flat angles C4'-P-C4' energy: -140.376
flat angles P-C4'-P energy: -79.484
tors. eta vs tors. theta energy: -157.260
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1959.085584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.085584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.113880 (E_RNA)
where:
Base-Base interactions energy: -1347.125
where: short stacking energy: -577.433
Base-Backbone interact. energy: -1.920
local terms energy: -612.068918
where:
bonds (distance) C4'-P energy: -121.397
bonds (distance) P-C4' energy: -112.261
flat angles C4'-P-C4' energy: -150.593
flat angles P-C4'-P energy: -79.881
tors. eta vs tors. theta energy: -147.938
Dist. restrs. and SS energy: 2.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1901.276514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.276514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.148135 (E_RNA)
where:
Base-Base interactions energy: -1283.188
where: short stacking energy: -528.497
Base-Backbone interact. energy: 1.161
local terms energy: -623.121035
where:
bonds (distance) C4'-P energy: -129.773
bonds (distance) P-C4' energy: -133.064
flat angles C4'-P-C4' energy: -139.710
flat angles P-C4'-P energy: -88.530
tors. eta vs tors. theta energy: -132.043
Dist. restrs. and SS energy: 3.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2909.567935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.567935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.834473 (E_RNA)
where:
Base-Base interactions energy: -2055.775
where: short stacking energy: -838.038
Base-Backbone interact. energy: 0.228
local terms energy: -855.287551
where:
bonds (distance) C4'-P energy: -154.821
bonds (distance) P-C4' energy: -143.987
flat angles C4'-P-C4' energy: -194.758
flat angles P-C4'-P energy: -117.289
tors. eta vs tors. theta energy: -244.432
Dist. restrs. and SS energy: 1.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2801.014072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.014072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.672605 (E_RNA)
where:
Base-Base interactions energy: -1934.495
where: short stacking energy: -807.801
Base-Backbone interact. energy: -2.088
local terms energy: -866.090314
where:
bonds (distance) C4'-P energy: -161.462
bonds (distance) P-C4' energy: -144.617
flat angles C4'-P-C4' energy: -189.691
flat angles P-C4'-P energy: -131.167
tors. eta vs tors. theta energy: -239.153
Dist. restrs. and SS energy: 1.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2629.230125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.230125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.344980 (E_RNA)
where:
Base-Base interactions energy: -1820.111
where: short stacking energy: -764.874
Base-Backbone interact. energy: -1.342
local terms energy: -808.891903
where:
bonds (distance) C4'-P energy: -151.724
bonds (distance) P-C4' energy: -146.555
flat angles C4'-P-C4' energy: -167.399
flat angles P-C4'-P energy: -111.736
tors. eta vs tors. theta energy: -231.477
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: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2502.293177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.293177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.851167 (E_RNA)
where:
Base-Base interactions energy: -1700.957
where: short stacking energy: -716.610
Base-Backbone interact. energy: -4.517
local terms energy: -798.376339
where:
bonds (distance) C4'-P energy: -154.968
bonds (distance) P-C4' energy: -149.755
flat angles C4'-P-C4' energy: -159.871
flat angles P-C4'-P energy: -107.849
tors. eta vs tors. theta energy: -225.933
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: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2471.720148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.720148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.113251 (E_RNA)
where:
Base-Base interactions energy: -1684.149
where: short stacking energy: -719.481
Base-Backbone interact. energy: 1.605
local terms energy: -791.568755
where:
bonds (distance) C4'-P energy: -134.105
bonds (distance) P-C4' energy: -170.194
flat angles C4'-P-C4' energy: -166.516
flat angles P-C4'-P energy: -115.581
tors. eta vs tors. theta energy: -205.172
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2293.848339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.848339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.866754 (E_RNA)
where:
Base-Base interactions energy: -1567.208
where: short stacking energy: -656.515
Base-Backbone interact. energy: -2.534
local terms energy: -726.125063
where:
bonds (distance) C4'-P energy: -139.666
bonds (distance) P-C4' energy: -134.624
flat angles C4'-P-C4' energy: -172.649
flat angles P-C4'-P energy: -101.805
tors. eta vs tors. theta energy: -177.381
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2094.317466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.317466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.481872 (E_RNA)
where:
Base-Base interactions energy: -1399.893
where: short stacking energy: -625.626
Base-Backbone interact. energy: 10.535
local terms energy: -708.123717
where:
bonds (distance) C4'-P energy: -151.971
bonds (distance) P-C4' energy: -144.597
flat angles C4'-P-C4' energy: -160.309
flat angles P-C4'-P energy: -97.399
tors. eta vs tors. theta energy: -153.849
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2021.512361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.512361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.407299 (E_RNA)
where:
Base-Base interactions energy: -1391.581
where: short stacking energy: -580.859
Base-Backbone interact. energy: 3.441
local terms energy: -635.267651
where:
bonds (distance) C4'-P energy: -123.069
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -130.236
flat angles P-C4'-P energy: -96.685
tors. eta vs tors. theta energy: -152.071
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: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1952.011503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.011503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.779857 (E_RNA)
where:
Base-Base interactions energy: -1332.621
where: short stacking energy: -561.895
Base-Backbone interact. energy: 3.348
local terms energy: -624.506476
where:
bonds (distance) C4'-P energy: -123.057
bonds (distance) P-C4' energy: -126.554
flat angles C4'-P-C4' energy: -142.570
flat angles P-C4'-P energy: -84.401
tors. eta vs tors. theta energy: -147.924
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: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1894.227791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.227791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.595015 (E_RNA)
where:
Base-Base interactions energy: -1272.182
where: short stacking energy: -516.588
Base-Backbone interact. energy: -2.252
local terms energy: -625.160651
where:
bonds (distance) C4'-P energy: -125.451
bonds (distance) P-C4' energy: -123.222
flat angles C4'-P-C4' energy: -157.434
flat angles P-C4'-P energy: -85.538
tors. eta vs tors. theta energy: -133.516
Dist. restrs. and SS energy: 5.367 (S_DIST_RNA)
chem. 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: -2891.509725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.509725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.875665 (E_RNA)
where:
Base-Base interactions energy: -2024.095
where: short stacking energy: -799.018
Base-Backbone interact. energy: -3.823
local terms energy: -865.957583
where:
bonds (distance) C4'-P energy: -175.408
bonds (distance) P-C4' energy: -171.157
flat angles C4'-P-C4' energy: -171.583
flat angles P-C4'-P energy: -114.452
tors. eta vs tors. theta energy: -233.359
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: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2828.060781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.060781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.596520 (E_RNA)
where:
Base-Base interactions energy: -1969.182
where: short stacking energy: -804.333
Base-Backbone interact. energy: -5.172
local terms energy: -855.242290
where:
bonds (distance) C4'-P energy: -158.399
bonds (distance) P-C4' energy: -160.196
flat angles C4'-P-C4' energy: -178.563
flat angles P-C4'-P energy: -117.686
tors. eta vs tors. theta energy: -240.398
Dist. restrs. and SS energy: 1.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2597.519770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.519770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.644049 (E_RNA)
where:
Base-Base interactions energy: -1778.898
where: short stacking energy: -777.821
Base-Backbone interact. energy: -2.338
local terms energy: -818.407683
where:
bonds (distance) C4'-P energy: -161.093
bonds (distance) P-C4' energy: -155.571
flat angles C4'-P-C4' energy: -176.434
flat angles P-C4'-P energy: -109.010
tors. eta vs tors. theta energy: -216.300
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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2529.866356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.866356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.733003 (E_RNA)
where:
Base-Base interactions energy: -1719.621
where: short stacking energy: -742.997
Base-Backbone interact. energy: -1.103
local terms energy: -811.008855
where:
bonds (distance) C4'-P energy: -145.112
bonds (distance) P-C4' energy: -159.223
flat angles C4'-P-C4' energy: -167.742
flat angles P-C4'-P energy: -108.515
tors. eta vs tors. theta energy: -230.417
Dist. restrs. and SS energy: 1.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2444.001070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.001070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.022579 (E_RNA)
where:
Base-Base interactions energy: -1668.637
where: short stacking energy: -722.694
Base-Backbone interact. energy: 3.293
local terms energy: -780.678300
where:
bonds (distance) C4'-P energy: -148.337
bonds (distance) P-C4' energy: -155.275
flat angles C4'-P-C4' energy: -163.437
flat angles P-C4'-P energy: -105.172
tors. eta vs tors. theta energy: -208.457
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2251.879164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.879164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.518638 (E_RNA)
where:
Base-Base interactions energy: -1538.486
where: short stacking energy: -626.651
Base-Backbone interact. energy: -4.799
local terms energy: -710.233197
where:
bonds (distance) C4'-P energy: -144.385
bonds (distance) P-C4' energy: -144.974
flat angles C4'-P-C4' energy: -163.714
flat angles P-C4'-P energy: -87.456
tors. eta vs tors. theta energy: -169.704
Dist. restrs. and SS energy: 1.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2100.491454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.491454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.096425 (E_RNA)
where:
Base-Base interactions energy: -1403.344
where: short stacking energy: -600.144
Base-Backbone interact. energy: 3.139
local terms energy: -701.890901
where:
bonds (distance) C4'-P energy: -127.437
bonds (distance) P-C4' energy: -142.418
flat angles C4'-P-C4' energy: -159.181
flat angles P-C4'-P energy: -108.314
tors. eta vs tors. theta energy: -164.541
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: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2024.694514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.694514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.981869 (E_RNA)
where:
Base-Base interactions energy: -1361.445
where: short stacking energy: -594.906
Base-Backbone interact. energy: -1.391
local terms energy: -665.146204
where:
bonds (distance) C4'-P energy: -130.613
bonds (distance) P-C4' energy: -134.421
flat angles C4'-P-C4' energy: -151.512
flat angles P-C4'-P energy: -92.942
tors. eta vs tors. theta energy: -155.658
Dist. restrs. and SS energy: 3.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1895.159265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.159265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.422498 (E_RNA)
where:
Base-Base interactions energy: -1299.130
where: short stacking energy: -529.923
Base-Backbone interact. energy: -1.106
local terms energy: -598.186584
where:
bonds (distance) C4'-P energy: -128.895
bonds (distance) P-C4' energy: -124.274
flat angles C4'-P-C4' energy: -142.132
flat angles P-C4'-P energy: -66.989
tors. eta vs tors. theta energy: -135.897
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1928.768999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.768999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.088992 (E_RNA)
where:
Base-Base interactions energy: -1297.064
where: short stacking energy: -503.721
Base-Backbone interact. energy: 2.582
local terms energy: -636.607450
where:
bonds (distance) C4'-P energy: -135.318
bonds (distance) P-C4' energy: -126.801
flat angles C4'-P-C4' energy: -143.308
flat angles P-C4'-P energy: -95.189
tors. eta vs tors. theta energy: -135.991
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: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2898.486688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.486688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.623530 (E_RNA)
where:
Base-Base interactions energy: -2020.414
where: short stacking energy: -816.543
Base-Backbone interact. energy: 0.465
local terms energy: -880.675041
where:
bonds (distance) C4'-P energy: -159.815
bonds (distance) P-C4' energy: -164.398
flat angles C4'-P-C4' energy: -185.344
flat angles P-C4'-P energy: -130.050
tors. eta vs tors. theta energy: -241.068
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: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2778.955084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.955084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.054428 (E_RNA)
where:
Base-Base interactions energy: -1922.086
where: short stacking energy: -781.869
Base-Backbone interact. energy: -1.572
local terms energy: -857.396214
where:
bonds (distance) C4'-P energy: -160.342
bonds (distance) P-C4' energy: -143.070
flat angles C4'-P-C4' energy: -186.660
flat angles P-C4'-P energy: -128.567
tors. eta vs tors. theta energy: -238.757
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: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2614.688417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.688417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.379890 (E_RNA)
where:
Base-Base interactions energy: -1778.460
where: short stacking energy: -754.128
Base-Backbone interact. energy: -5.224
local terms energy: -832.695087
where:
bonds (distance) C4'-P energy: -175.986
bonds (distance) P-C4' energy: -142.629
flat angles C4'-P-C4' energy: -176.561
flat angles P-C4'-P energy: -116.460
tors. eta vs tors. theta energy: -221.059
Dist. restrs. and SS energy: 1.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2524.050282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.050282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.880762 (E_RNA)
where:
Base-Base interactions energy: -1701.643
where: short stacking energy: -733.688
Base-Backbone interact. energy: -3.551
local terms energy: -820.686282
where:
bonds (distance) C4'-P energy: -149.551
bonds (distance) P-C4' energy: -157.965
flat angles C4'-P-C4' energy: -167.957
flat angles P-C4'-P energy: -121.681
tors. eta vs tors. theta energy: -223.532
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: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2432.960789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.960789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.066862 (E_RNA)
where:
Base-Base interactions energy: -1641.705
where: short stacking energy: -671.584
Base-Backbone interact. energy: -0.344
local terms energy: -793.017269
where:
bonds (distance) C4'-P energy: -151.901
bonds (distance) P-C4' energy: -153.886
flat angles C4'-P-C4' energy: -164.673
flat angles P-C4'-P energy: -125.775
tors. eta vs tors. theta energy: -196.781
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: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2296.275372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.275372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.126408 (E_RNA)
where:
Base-Base interactions energy: -1548.390
where: short stacking energy: -672.746
Base-Backbone interact. energy: -0.417
local terms energy: -749.319885
where:
bonds (distance) C4'-P energy: -154.520
bonds (distance) P-C4' energy: -148.416
flat angles C4'-P-C4' energy: -151.211
flat angles P-C4'-P energy: -109.921
tors. eta vs tors. theta energy: -185.251
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: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2106.339698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.747473 (E_RNA)
where:
Base-Base interactions energy: -1424.028
where: short stacking energy: -611.764
Base-Backbone interact. energy: 0.727
local terms energy: -686.445954
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -145.550
flat angles C4'-P-C4' energy: -150.601
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -162.900
Dist. restrs. and SS energy: 3.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2029.799878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.799878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.720106 (E_RNA)
where:
Base-Base interactions energy: -1373.715
where: short stacking energy: -600.308
Base-Backbone interact. energy: 9.055
local terms energy: -667.059961
where:
bonds (distance) C4'-P energy: -147.728
bonds (distance) P-C4' energy: -123.519
flat angles C4'-P-C4' energy: -145.890
flat angles P-C4'-P energy: -83.181
tors. eta vs tors. theta energy: -166.742
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: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1957.482250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.482250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.039810 (E_RNA)
where:
Base-Base interactions energy: -1316.265
where: short stacking energy: -548.048
Base-Backbone interact. energy: 1.486
local terms energy: -645.260472
where:
bonds (distance) C4'-P energy: -116.463
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -160.967
flat angles P-C4'-P energy: -106.171
tors. eta vs tors. theta energy: -145.961
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1875.188480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.188480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.808278 (E_RNA)
where:
Base-Base interactions energy: -1282.002
where: short stacking energy: -547.065
Base-Backbone interact. energy: 2.162
local terms energy: -598.968474
where:
bonds (distance) C4'-P energy: -108.728
bonds (distance) P-C4' energy: -126.192
flat angles C4'-P-C4' energy: -145.110
flat angles P-C4'-P energy: -82.766
tors. eta vs tors. theta energy: -136.172
Dist. restrs. and SS energy: 3.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2918.032394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.032394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.747258 (E_RNA)
where:
Base-Base interactions energy: -2057.465
where: short stacking energy: -829.634
Base-Backbone interact. energy: -4.691
local terms energy: -858.591384
where:
bonds (distance) C4'-P energy: -147.335
bonds (distance) P-C4' energy: -169.916
flat angles C4'-P-C4' energy: -185.535
flat angles P-C4'-P energy: -124.074
tors. eta vs tors. theta energy: -231.731
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: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2806.809351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.809351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.768874 (E_RNA)
where:
Base-Base interactions energy: -1928.269
where: short stacking energy: -838.606
Base-Backbone interact. energy: -6.155
local terms energy: -874.345075
where:
bonds (distance) C4'-P energy: -159.344
bonds (distance) P-C4' energy: -164.277
flat angles C4'-P-C4' energy: -170.119
flat angles P-C4'-P energy: -138.572
tors. eta vs tors. theta energy: -242.034
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2610.405279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.405279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.477026 (E_RNA)
where:
Base-Base interactions energy: -1803.599
where: short stacking energy: -787.192
Base-Backbone interact. energy: -4.451
local terms energy: -804.427342
where:
bonds (distance) C4'-P energy: -131.302
bonds (distance) P-C4' energy: -147.840
flat angles C4'-P-C4' energy: -182.525
flat angles P-C4'-P energy: -115.154
tors. eta vs tors. theta energy: -227.607
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2517.456499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.456499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.831224 (E_RNA)
where:
Base-Base interactions energy: -1714.137
where: short stacking energy: -747.558
Base-Backbone interact. energy: -0.340
local terms energy: -805.354312
where:
bonds (distance) C4'-P energy: -141.854
bonds (distance) P-C4' energy: -157.680
flat angles C4'-P-C4' energy: -175.633
flat angles P-C4'-P energy: -106.134
tors. eta vs tors. theta energy: -224.054
Dist. restrs. and SS energy: 2.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2466.525077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.525077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.917619 (E_RNA)
where:
Base-Base interactions energy: -1694.693
where: short stacking energy: -693.247
Base-Backbone interact. energy: -1.999
local terms energy: -771.225126
where:
bonds (distance) C4'-P energy: -139.398
bonds (distance) P-C4' energy: -138.691
flat angles C4'-P-C4' energy: -169.524
flat angles P-C4'-P energy: -118.260
tors. eta vs tors. theta energy: -205.352
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: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2234.183132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.183132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.964589 (E_RNA)
where:
Base-Base interactions energy: -1549.611
where: short stacking energy: -667.970
Base-Backbone interact. energy: 6.299
local terms energy: -693.652878
where:
bonds (distance) C4'-P energy: -127.564
bonds (distance) P-C4' energy: -158.729
flat angles C4'-P-C4' energy: -148.964
flat angles P-C4'-P energy: -99.210
tors. eta vs tors. theta energy: -159.187
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2107.598550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.598550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.647122 (E_RNA)
where:
Base-Base interactions energy: -1423.608
where: short stacking energy: -612.844
Base-Backbone interact. energy: -0.937
local terms energy: -685.101938
where:
bonds (distance) C4'-P energy: -140.885
bonds (distance) P-C4' energy: -145.617
flat angles C4'-P-C4' energy: -140.398
flat angles P-C4'-P energy: -99.449
tors. eta vs tors. theta energy: -158.754
Dist. restrs. and SS energy: 2.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1960.640852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.640852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.885185 (E_RNA)
where:
Base-Base interactions energy: -1306.875
where: short stacking energy: -554.922
Base-Backbone interact. energy: 3.899
local terms energy: -660.908658
where:
bonds (distance) C4'-P energy: -130.352
bonds (distance) P-C4' energy: -144.014
flat angles C4'-P-C4' energy: -150.946
flat angles P-C4'-P energy: -104.336
tors. eta vs tors. theta energy: -131.260
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: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1949.620746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.620746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.078270 (E_RNA)
where:
Base-Base interactions energy: -1330.547
where: short stacking energy: -544.441
Base-Backbone interact. energy: 0.592
local terms energy: -622.122920
where:
bonds (distance) C4'-P energy: -129.491
bonds (distance) P-C4' energy: -148.771
flat angles C4'-P-C4' energy: -125.830
flat angles P-C4'-P energy: -87.251
tors. eta vs tors. theta energy: -130.780
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: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1842.516412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.516412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.564278 (E_RNA)
where:
Base-Base interactions energy: -1262.400
where: short stacking energy: -537.108
Base-Backbone interact. energy: 1.294
local terms energy: -588.458105
where:
bonds (distance) C4'-P energy: -136.187
bonds (distance) P-C4' energy: -123.797
flat angles C4'-P-C4' energy: -120.007
flat angles P-C4'-P energy: -82.861
tors. eta vs tors. theta energy: -125.606
Dist. restrs. and SS energy: 7.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2912.657432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.657432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.492012 (E_RNA)
where:
Base-Base interactions energy: -2053.798
where: short stacking energy: -843.244
Base-Backbone interact. energy: -0.859
local terms energy: -861.835747
where:
bonds (distance) C4'-P energy: -150.825
bonds (distance) P-C4' energy: -168.734
flat angles C4'-P-C4' energy: -176.947
flat angles P-C4'-P energy: -121.413
tors. eta vs tors. theta energy: -243.916
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: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2834.551760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.551760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.945166 (E_RNA)
where:
Base-Base interactions energy: -1980.855
where: short stacking energy: -851.917
Base-Backbone interact. energy: -6.366
local terms energy: -848.723618
where:
bonds (distance) C4'-P energy: -140.106
bonds (distance) P-C4' energy: -159.449
flat angles C4'-P-C4' energy: -184.520
flat angles P-C4'-P energy: -125.645
tors. eta vs tors. theta energy: -239.005
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2612.375396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.375396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.028280 (E_RNA)
where:
Base-Base interactions energy: -1783.138
where: short stacking energy: -766.912
Base-Backbone interact. energy: -2.255
local terms energy: -828.635229
where:
bonds (distance) C4'-P energy: -148.235
bonds (distance) P-C4' energy: -147.817
flat angles C4'-P-C4' energy: -190.234
flat angles P-C4'-P energy: -114.436
tors. eta vs tors. theta energy: -227.914
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2525.529030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.529030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.156191 (E_RNA)
where:
Base-Base interactions energy: -1728.167
where: short stacking energy: -747.374
Base-Backbone interact. energy: -1.321
local terms energy: -797.668468
where:
bonds (distance) C4'-P energy: -148.176
bonds (distance) P-C4' energy: -133.719
flat angles C4'-P-C4' energy: -169.219
flat angles P-C4'-P energy: -124.757
tors. eta vs tors. theta energy: -221.797
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: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2455.839244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.839244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.536228 (E_RNA)
where:
Base-Base interactions energy: -1674.945
where: short stacking energy: -697.490
Base-Backbone interact. energy: -1.221
local terms energy: -781.369964
where:
bonds (distance) C4'-P energy: -140.340
bonds (distance) P-C4' energy: -151.858
flat angles C4'-P-C4' energy: -172.699
flat angles P-C4'-P energy: -117.938
tors. eta vs tors. theta energy: -198.535
Dist. restrs. and SS energy: 1.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2236.805266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.805266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.305530 (E_RNA)
where:
Base-Base interactions energy: -1516.896
where: short stacking energy: -647.172
Base-Backbone interact. energy: 7.012
local terms energy: -729.421431
where:
bonds (distance) C4'-P energy: -144.592
bonds (distance) P-C4' energy: -147.530
flat angles C4'-P-C4' energy: -165.026
flat angles P-C4'-P energy: -94.562
tors. eta vs tors. theta energy: -177.712
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: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2134.832390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.832390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.838802 (E_RNA)
where:
Base-Base interactions energy: -1438.898
where: short stacking energy: -606.443
Base-Backbone interact. energy: -2.386
local terms energy: -695.554309
where:
bonds (distance) C4'-P energy: -143.592
bonds (distance) P-C4' energy: -143.252
flat angles C4'-P-C4' energy: -150.580
flat angles P-C4'-P energy: -97.305
tors. eta vs tors. theta energy: -160.825
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: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1990.106209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.106209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.755213 (E_RNA)
where:
Base-Base interactions energy: -1370.404
where: short stacking energy: -557.113
Base-Backbone interact. energy: 2.544
local terms energy: -623.894710
where:
bonds (distance) C4'-P energy: -121.591
bonds (distance) P-C4' energy: -139.197
flat angles C4'-P-C4' energy: -161.641
flat angles P-C4'-P energy: -65.572
tors. eta vs tors. theta energy: -135.894
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: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1945.849640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.849640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.595273 (E_RNA)
where:
Base-Base interactions energy: -1304.473
where: short stacking energy: -538.205
Base-Backbone interact. energy: 0.294
local terms energy: -644.416074
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -133.138
flat angles C4'-P-C4' energy: -153.397
flat angles P-C4'-P energy: -95.944
tors. eta vs tors. theta energy: -136.944
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: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1861.896415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.896415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.147408 (E_RNA)
where:
Base-Base interactions energy: -1297.927
where: short stacking energy: -543.076
Base-Backbone interact. energy: -0.279
local terms energy: -567.942111
where:
bonds (distance) C4'-P energy: -119.551
bonds (distance) P-C4' energy: -109.517
flat angles C4'-P-C4' energy: -135.004
flat angles P-C4'-P energy: -81.410
tors. eta vs tors. theta energy: -122.460
Dist. restrs. and SS energy: 4.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2904.061546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.061546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.925802 (E_RNA)
where:
Base-Base interactions energy: -2020.974
where: short stacking energy: -826.483
Base-Backbone interact. energy: -4.448
local terms energy: -880.504400
where:
bonds (distance) C4'-P energy: -139.884
bonds (distance) P-C4' energy: -179.009
flat angles C4'-P-C4' energy: -190.033
flat angles P-C4'-P energy: -130.193
tors. eta vs tors. theta energy: -241.385
Dist. restrs. and SS energy: 1.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2805.689592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.689592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.169109 (E_RNA)
where:
Base-Base interactions energy: -1954.716
where: short stacking energy: -809.124
Base-Backbone interact. energy: -3.800
local terms energy: -848.653429
where:
bonds (distance) C4'-P energy: -140.492
bonds (distance) P-C4' energy: -157.095
flat angles C4'-P-C4' energy: -179.677
flat angles P-C4'-P energy: -125.852
tors. eta vs tors. theta energy: -245.537
Dist. restrs. and SS energy: 1.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2601.760535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.760535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.198857 (E_RNA)
where:
Base-Base interactions energy: -1821.599
where: short stacking energy: -751.413
Base-Backbone interact. energy: -3.652
local terms energy: -778.948137
where:
bonds (distance) C4'-P energy: -152.988
bonds (distance) P-C4' energy: -136.469
flat angles C4'-P-C4' energy: -157.068
flat angles P-C4'-P energy: -119.945
tors. eta vs tors. theta energy: -212.479
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2550.963385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.963385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.909131 (E_RNA)
where:
Base-Base interactions energy: -1772.405
where: short stacking energy: -753.550
Base-Backbone interact. energy: -0.079
local terms energy: -779.425075
where:
bonds (distance) C4'-P energy: -150.467
bonds (distance) P-C4' energy: -143.119
flat angles C4'-P-C4' energy: -164.729
flat angles P-C4'-P energy: -108.875
tors. eta vs tors. theta energy: -212.235
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2431.277791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.277791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.120398 (E_RNA)
where:
Base-Base interactions energy: -1647.605
where: short stacking energy: -715.411
Base-Backbone interact. energy: 1.775
local terms energy: -787.290387
where:
bonds (distance) C4'-P energy: -148.778
bonds (distance) P-C4' energy: -158.996
flat angles C4'-P-C4' energy: -161.141
flat angles P-C4'-P energy: -105.113
tors. eta vs tors. theta energy: -213.262
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2243.145033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.145033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.633671 (E_RNA)
where:
Base-Base interactions energy: -1517.886
where: short stacking energy: -651.969
Base-Backbone interact. energy: 8.489
local terms energy: -735.236456
where:
bonds (distance) C4'-P energy: -126.587
bonds (distance) P-C4' energy: -167.568
flat angles C4'-P-C4' energy: -158.743
flat angles P-C4'-P energy: -95.432
tors. eta vs tors. theta energy: -186.907
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2105.393139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.393139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.857408 (E_RNA)
where:
Base-Base interactions energy: -1410.909
where: short stacking energy: -587.624
Base-Backbone interact. energy: -1.768
local terms energy: -695.180914
where:
bonds (distance) C4'-P energy: -139.977
bonds (distance) P-C4' energy: -146.022
flat angles C4'-P-C4' energy: -150.707
flat angles P-C4'-P energy: -98.942
tors. eta vs tors. theta energy: -159.533
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: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -2046.094815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.094815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.008472 (E_RNA)
where:
Base-Base interactions energy: -1358.311
where: short stacking energy: -541.033
Base-Backbone interact. energy: 4.041
local terms energy: -693.738476
where:
bonds (distance) C4'-P energy: -129.292
bonds (distance) P-C4' energy: -159.090
flat angles C4'-P-C4' energy: -159.001
flat angles P-C4'-P energy: -105.380
tors. eta vs tors. theta energy: -140.976
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: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1985.184695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.184695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.032477 (E_RNA)
where:
Base-Base interactions energy: -1332.121
where: short stacking energy: -570.473
Base-Backbone interact. energy: -0.068
local terms energy: -656.843180
where:
bonds (distance) C4'-P energy: -112.882
bonds (distance) P-C4' energy: -144.133
flat angles C4'-P-C4' energy: -154.295
flat angles P-C4'-P energy: -98.919
tors. eta vs tors. theta energy: -146.614
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: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1864.573196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.573196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.824274 (E_RNA)
where:
Base-Base interactions energy: -1251.283
where: short stacking energy: -538.038
Base-Backbone interact. energy: -0.099
local terms energy: -616.442069
where:
bonds (distance) C4'-P energy: -125.375
bonds (distance) P-C4' energy: -122.509
flat angles C4'-P-C4' energy: -141.260
flat angles P-C4'-P energy: -83.981
tors. eta vs tors. theta energy: -143.317
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2917.018772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.018772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.038258 (E_RNA)
where:
Base-Base interactions energy: -2028.483
where: short stacking energy: -829.440
Base-Backbone interact. energy: -5.160
local terms energy: -886.395648
where:
bonds (distance) C4'-P energy: -166.905
bonds (distance) P-C4' energy: -164.463
flat angles C4'-P-C4' energy: -173.777
flat angles P-C4'-P energy: -138.628
tors. eta vs tors. theta energy: -242.622
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2806.022076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.022076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.248815 (E_RNA)
where:
Base-Base interactions energy: -1942.467
where: short stacking energy: -807.501
Base-Backbone interact. energy: -3.390
local terms energy: -861.391873
where:
bonds (distance) C4'-P energy: -157.366
bonds (distance) P-C4' energy: -159.213
flat angles C4'-P-C4' energy: -179.541
flat angles P-C4'-P energy: -126.679
tors. eta vs tors. theta energy: -238.593
Dist. restrs. and SS energy: 1.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2617.866862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.866862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.269399 (E_RNA)
where:
Base-Base interactions energy: -1777.110
where: short stacking energy: -774.934
Base-Backbone interact. energy: -0.202
local terms energy: -843.958231
where:
bonds (distance) C4'-P energy: -155.165
bonds (distance) P-C4' energy: -157.368
flat angles C4'-P-C4' energy: -190.543
flat angles P-C4'-P energy: -112.091
tors. eta vs tors. theta energy: -228.793
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: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2591.964238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.964238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.900030 (E_RNA)
where:
Base-Base interactions energy: -1814.900
where: short stacking energy: -758.846
Base-Backbone interact. energy: 0.327
local terms energy: -779.326575
where:
bonds (distance) C4'-P energy: -147.487
bonds (distance) P-C4' energy: -136.553
flat angles C4'-P-C4' energy: -163.908
flat angles P-C4'-P energy: -118.687
tors. eta vs tors. theta energy: -212.692
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2450.660350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.660350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.198094 (E_RNA)
where:
Base-Base interactions energy: -1694.655
where: short stacking energy: -707.215
Base-Backbone interact. energy: -0.201
local terms energy: -757.341609
where:
bonds (distance) C4'-P energy: -145.928
bonds (distance) P-C4' energy: -129.674
flat angles C4'-P-C4' energy: -168.518
flat angles P-C4'-P energy: -103.682
tors. eta vs tors. theta energy: -209.539
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: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2268.636353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.636353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.904321 (E_RNA)
where:
Base-Base interactions energy: -1542.600
where: short stacking energy: -650.421
Base-Backbone interact. energy: 6.055
local terms energy: -733.358635
where:
bonds (distance) C4'-P energy: -121.727
bonds (distance) P-C4' energy: -149.715
flat angles C4'-P-C4' energy: -167.849
flat angles P-C4'-P energy: -110.549
tors. eta vs tors. theta energy: -183.519
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2086.891037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.891037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.538064 (E_RNA)
where:
Base-Base interactions energy: -1395.282
where: short stacking energy: -587.459
Base-Backbone interact. energy: -1.391
local terms energy: -691.864866
where:
bonds (distance) C4'-P energy: -130.041
bonds (distance) P-C4' energy: -149.694
flat angles C4'-P-C4' energy: -138.208
flat angles P-C4'-P energy: -101.218
tors. eta vs tors. theta energy: -172.703
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: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -2035.592161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.592161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.551821 (E_RNA)
where:
Base-Base interactions energy: -1379.407
where: short stacking energy: -589.351
Base-Backbone interact. energy: 5.205
local terms energy: -663.349689
where:
bonds (distance) C4'-P energy: -131.301
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -159.501
flat angles P-C4'-P energy: -88.869
tors. eta vs tors. theta energy: -149.307
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: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1942.956614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.956614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.882360 (E_RNA)
where:
Base-Base interactions energy: -1358.331
where: short stacking energy: -582.119
Base-Backbone interact. energy: 0.806
local terms energy: -588.357083
where:
bonds (distance) C4'-P energy: -126.172
bonds (distance) P-C4' energy: -99.090
flat angles C4'-P-C4' energy: -135.894
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -145.248
Dist. restrs. and SS energy: 2.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1848.082341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.082341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.973062 (E_RNA)
where:
Base-Base interactions energy: -1285.460
where: short stacking energy: -526.068
Base-Backbone interact. energy: 2.288
local terms energy: -567.800333
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -125.248
flat angles C4'-P-C4' energy: -111.259
flat angles P-C4'-P energy: -75.890
tors. eta vs tors. theta energy: -135.763
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2876.199363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.199363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.576875 (E_RNA)
where:
Base-Base interactions energy: -2001.670
where: short stacking energy: -837.701
Base-Backbone interact. energy: -3.785
local terms energy: -874.122595
where:
bonds (distance) C4'-P energy: -152.546
bonds (distance) P-C4' energy: -164.197
flat angles C4'-P-C4' energy: -189.843
flat angles P-C4'-P energy: -121.918
tors. eta vs tors. theta energy: -245.618
Dist. restrs. and SS energy: 3.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2803.098701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.098701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.823091 (E_RNA)
where:
Base-Base interactions energy: -1968.083
where: short stacking energy: -799.225
Base-Backbone interact. energy: 4.826
local terms energy: -841.565256
where:
bonds (distance) C4'-P energy: -154.024
bonds (distance) P-C4' energy: -161.652
flat angles C4'-P-C4' energy: -182.129
flat angles P-C4'-P energy: -113.489
tors. eta vs tors. theta energy: -230.273
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: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2658.881526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.881526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.832982 (E_RNA)
where:
Base-Base interactions energy: -1852.343
where: short stacking energy: -798.174
Base-Backbone interact. energy: 2.619
local terms energy: -812.109464
where:
bonds (distance) C4'-P energy: -145.235
bonds (distance) P-C4' energy: -144.069
flat angles C4'-P-C4' energy: -182.058
flat angles P-C4'-P energy: -114.646
tors. eta vs tors. theta energy: -226.102
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: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2583.521615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.521615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.702382 (E_RNA)
where:
Base-Base interactions energy: -1773.149
where: short stacking energy: -743.155
Base-Backbone interact. energy: -3.196
local terms energy: -808.357567
where:
bonds (distance) C4'-P energy: -164.671
bonds (distance) P-C4' energy: -152.366
flat angles C4'-P-C4' energy: -166.505
flat angles P-C4'-P energy: -100.810
tors. eta vs tors. theta energy: -224.007
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: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2433.149858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.149858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.424840 (E_RNA)
where:
Base-Base interactions energy: -1662.015
where: short stacking energy: -716.963
Base-Backbone interact. energy: 1.034
local terms energy: -775.444429
where:
bonds (distance) C4'-P energy: -136.138
bonds (distance) P-C4' energy: -134.489
flat angles C4'-P-C4' energy: -165.551
flat angles P-C4'-P energy: -119.765
tors. eta vs tors. theta energy: -219.502
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: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2272.001623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.001623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.120347 (E_RNA)
where:
Base-Base interactions energy: -1556.227
where: short stacking energy: -652.618
Base-Backbone interact. energy: -4.486
local terms energy: -712.406769
where:
bonds (distance) C4'-P energy: -140.441
bonds (distance) P-C4' energy: -145.651
flat angles C4'-P-C4' energy: -160.526
flat angles P-C4'-P energy: -94.079
tors. eta vs tors. theta energy: -171.710
Dist. restrs. and SS energy: 1.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2171.646732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.646732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.994400 (E_RNA)
where:
Base-Base interactions energy: -1439.573
where: short stacking energy: -616.985
Base-Backbone interact. energy: -4.089
local terms energy: -730.332595
where:
bonds (distance) C4'-P energy: -121.329
bonds (distance) P-C4' energy: -154.492
flat angles C4'-P-C4' energy: -179.772
flat angles P-C4'-P energy: -101.766
tors. eta vs tors. theta energy: -172.973
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: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -2081.612833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.612833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.965169 (E_RNA)
where:
Base-Base interactions energy: -1399.607
where: short stacking energy: -611.638
Base-Backbone interact. energy: 2.394
local terms energy: -686.751673
where:
bonds (distance) C4'-P energy: -125.939
bonds (distance) P-C4' energy: -133.835
flat angles C4'-P-C4' energy: -173.228
flat angles P-C4'-P energy: -96.646
tors. eta vs tors. theta energy: -157.105
Dist. restrs. and SS energy: 2.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1983.264508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.264508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.171744 (E_RNA)
where:
Base-Base interactions energy: -1369.503
where: short stacking energy: -570.278
Base-Backbone interact. energy: 8.742
local terms energy: -625.411011
where:
bonds (distance) C4'-P energy: -112.427
bonds (distance) P-C4' energy: -136.076
flat angles C4'-P-C4' energy: -149.947
flat angles P-C4'-P energy: -77.047
tors. eta vs tors. theta energy: -149.914
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1919.270026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.270026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.417208 (E_RNA)
where:
Base-Base interactions energy: -1327.965
where: short stacking energy: -547.868
Base-Backbone interact. energy: 2.718
local terms energy: -596.170900
where:
bonds (distance) C4'-P energy: -109.718
bonds (distance) P-C4' energy: -123.403
flat angles C4'-P-C4' energy: -147.189
flat angles P-C4'-P energy: -78.487
tors. eta vs tors. theta energy: -137.374
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: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2883.409759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.409759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.064767 (E_RNA)
where:
Base-Base interactions energy: -1987.473
where: short stacking energy: -844.162
Base-Backbone interact. energy: -4.603
local terms energy: -893.988106
where:
bonds (distance) C4'-P energy: -166.538
bonds (distance) P-C4' energy: -168.629
flat angles C4'-P-C4' energy: -183.869
flat angles P-C4'-P energy: -121.532
tors. eta vs tors. theta energy: -253.421
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2814.003371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.003371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.312972 (E_RNA)
where:
Base-Base interactions energy: -1941.083
where: short stacking energy: -813.193
Base-Backbone interact. energy: -7.086
local terms energy: -868.143823
where:
bonds (distance) C4'-P energy: -153.672
bonds (distance) P-C4' energy: -161.915
flat angles C4'-P-C4' energy: -178.275
flat angles P-C4'-P energy: -135.013
tors. eta vs tors. theta energy: -239.269
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: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2669.709317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.709317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.910571 (E_RNA)
where:
Base-Base interactions energy: -1824.463
where: short stacking energy: -768.966
Base-Backbone interact. energy: -0.222
local terms energy: -847.225470
where:
bonds (distance) C4'-P energy: -154.899
bonds (distance) P-C4' energy: -164.070
flat angles C4'-P-C4' energy: -171.584
flat angles P-C4'-P energy: -122.614
tors. eta vs tors. theta energy: -234.058
Dist. restrs. and SS energy: 2.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2585.886055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.886055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.356085 (E_RNA)
where:
Base-Base interactions energy: -1798.750
where: short stacking energy: -721.451
Base-Backbone interact. energy: -2.211
local terms energy: -787.395148
where:
bonds (distance) C4'-P energy: -142.100
bonds (distance) P-C4' energy: -155.265
flat angles C4'-P-C4' energy: -170.096
flat angles P-C4'-P energy: -120.423
tors. eta vs tors. theta energy: -199.512
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: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2396.876001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.876001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.627738 (E_RNA)
where:
Base-Base interactions energy: -1637.162
where: short stacking energy: -697.904
Base-Backbone interact. energy: -3.057
local terms energy: -758.408673
where:
bonds (distance) C4'-P energy: -147.419
bonds (distance) P-C4' energy: -133.739
flat angles C4'-P-C4' energy: -175.832
flat angles P-C4'-P energy: -102.741
tors. eta vs tors. theta energy: -198.677
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: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2321.602851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.602851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.325547 (E_RNA)
where:
Base-Base interactions energy: -1600.025
where: short stacking energy: -682.634
Base-Backbone interact. energy: -3.327
local terms energy: -719.973391
where:
bonds (distance) C4'-P energy: -126.384
bonds (distance) P-C4' energy: -144.367
flat angles C4'-P-C4' energy: -173.518
flat angles P-C4'-P energy: -90.342
tors. eta vs tors. theta energy: -185.362
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2117.656114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.656114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.573722 (E_RNA)
where:
Base-Base interactions energy: -1436.884
where: short stacking energy: -613.001
Base-Backbone interact. energy: -0.341
local terms energy: -682.348717
where:
bonds (distance) C4'-P energy: -117.718
bonds (distance) P-C4' energy: -135.681
flat angles C4'-P-C4' energy: -157.870
flat angles P-C4'-P energy: -96.805
tors. eta vs tors. theta energy: -174.274
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2030.696380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.696380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.872842 (E_RNA)
where:
Base-Base interactions energy: -1387.823
where: short stacking energy: -599.967
Base-Backbone interact. energy: 5.157
local terms energy: -650.206508
where:
bonds (distance) C4'-P energy: -135.255
bonds (distance) P-C4' energy: -133.704
flat angles C4'-P-C4' energy: -140.626
flat angles P-C4'-P energy: -95.228
tors. eta vs tors. theta energy: -145.393
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: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1965.579101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.579101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.752794 (E_RNA)
where:
Base-Base interactions energy: -1317.691
where: short stacking energy: -564.327
Base-Backbone interact. energy: 3.146
local terms energy: -654.206991
where:
bonds (distance) C4'-P energy: -139.844
bonds (distance) P-C4' energy: -145.429
flat angles C4'-P-C4' energy: -144.388
flat angles P-C4'-P energy: -91.834
tors. eta vs tors. theta energy: -132.712
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: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1893.649865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.649865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.184778 (E_RNA)
where:
Base-Base interactions energy: -1250.760
where: short stacking energy: -539.718
Base-Backbone interact. energy: 3.400
local terms energy: -655.824535
where:
bonds (distance) C4'-P energy: -151.100
bonds (distance) P-C4' energy: -140.986
flat angles C4'-P-C4' energy: -147.789
flat angles P-C4'-P energy: -68.740
tors. eta vs tors. theta energy: -147.209
Dist. restrs. and SS energy: 9.535 (S_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: 293
Temperature: 0.900000
Total energy: -2867.652212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.652212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.945662 (E_RNA)
where:
Base-Base interactions energy: -1964.204
where: short stacking energy: -829.055
Base-Backbone interact. energy: -3.152
local terms energy: -902.590046
where:
bonds (distance) C4'-P energy: -171.819
bonds (distance) P-C4' energy: -163.554
flat angles C4'-P-C4' energy: -189.144
flat angles P-C4'-P energy: -127.178
tors. eta vs tors. theta energy: -250.895
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: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2825.803051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.803051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.710043 (E_RNA)
where:
Base-Base interactions energy: -1961.916
where: short stacking energy: -815.840
Base-Backbone interact. energy: -0.625
local terms energy: -865.168381
where:
bonds (distance) C4'-P energy: -163.795
bonds (distance) P-C4' energy: -161.376
flat angles C4'-P-C4' energy: -192.341
flat angles P-C4'-P energy: -113.692
tors. eta vs tors. theta energy: -233.965
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: 293
Temperature: 1.000000
Total energy: -2637.928543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.928543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.867665 (E_RNA)
where:
Base-Base interactions energy: -1820.951
where: short stacking energy: -769.473
Base-Backbone interact. energy: -2.255
local terms energy: -817.661863
where:
bonds (distance) C4'-P energy: -134.286
bonds (distance) P-C4' energy: -161.875
flat angles C4'-P-C4' energy: -169.351
flat angles P-C4'-P energy: -120.424
tors. eta vs tors. theta energy: -231.726
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: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2536.813348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.813348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.841183 (E_RNA)
where:
Base-Base interactions energy: -1744.792
where: short stacking energy: -727.309
Base-Backbone interact. energy: -1.851
local terms energy: -792.197892
where:
bonds (distance) C4'-P energy: -136.791
bonds (distance) P-C4' energy: -162.602
flat angles C4'-P-C4' energy: -164.806
flat angles P-C4'-P energy: -114.603
tors. eta vs tors. theta energy: -213.395
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2394.921048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.921048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.597563 (E_RNA)
where:
Base-Base interactions energy: -1632.403
where: short stacking energy: -673.448
Base-Backbone interact. energy: -2.347
local terms energy: -761.847712
where:
bonds (distance) C4'-P energy: -138.261
bonds (distance) P-C4' energy: -153.142
flat angles C4'-P-C4' energy: -177.702
flat angles P-C4'-P energy: -108.740
tors. eta vs tors. theta energy: -184.003
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: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2268.178106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.178106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.505661 (E_RNA)
where:
Base-Base interactions energy: -1574.029
where: short stacking energy: -653.926
Base-Backbone interact. energy: 4.517
local terms energy: -700.993283
where:
bonds (distance) C4'-P energy: -124.651
bonds (distance) P-C4' energy: -148.986
flat angles C4'-P-C4' energy: -163.916
flat angles P-C4'-P energy: -101.314
tors. eta vs tors. theta energy: -162.126
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: 293
Temperature: 1.200000
Total energy: -2094.879114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.879114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.693857 (E_RNA)
where:
Base-Base interactions energy: -1412.192
where: short stacking energy: -586.070
Base-Backbone interact. energy: 1.627
local terms energy: -687.128952
where:
bonds (distance) C4'-P energy: -129.260
bonds (distance) P-C4' energy: -151.805
flat angles C4'-P-C4' energy: -155.228
flat angles P-C4'-P energy: -101.818
tors. eta vs tors. theta energy: -149.018
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2033.768934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.768934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.814471 (E_RNA)
where:
Base-Base interactions energy: -1358.251
where: short stacking energy: -557.032
Base-Backbone interact. energy: 5.200
local terms energy: -682.762750
where:
bonds (distance) C4'-P energy: -140.612
bonds (distance) P-C4' energy: -134.764
flat angles C4'-P-C4' energy: -158.908
flat angles P-C4'-P energy: -98.565
tors. eta vs tors. theta energy: -149.914
Dist. restrs. and SS energy: 2.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1964.763859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.763859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.798846 (E_RNA)
where:
Base-Base interactions energy: -1344.489
where: short stacking energy: -566.155
Base-Backbone interact. energy: 6.617
local terms energy: -630.926942
where:
bonds (distance) C4'-P energy: -144.064
bonds (distance) P-C4' energy: -140.791
flat angles C4'-P-C4' energy: -122.863
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -141.859
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1889.065553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.065553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.589718 (E_RNA)
where:
Base-Base interactions energy: -1310.604
where: short stacking energy: -562.977
Base-Backbone interact. energy: 1.455
local terms energy: -582.439970
where:
bonds (distance) C4'-P energy: -114.864
bonds (distance) P-C4' energy: -112.964
flat angles C4'-P-C4' energy: -134.086
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -150.814
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2896.593748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.593748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.978794 (E_RNA)
where:
Base-Base interactions energy: -2001.592
where: short stacking energy: -852.179
Base-Backbone interact. energy: -6.558
local terms energy: -890.828208
where:
bonds (distance) C4'-P energy: -168.561
bonds (distance) P-C4' energy: -178.794
flat angles C4'-P-C4' energy: -175.527
flat angles P-C4'-P energy: -123.501
tors. eta vs tors. theta energy: -244.445
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: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2806.751253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.751253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.480390 (E_RNA)
where:
Base-Base interactions energy: -1943.932
where: short stacking energy: -811.286
Base-Backbone interact. energy: 1.162
local terms energy: -865.710513
where:
bonds (distance) C4'-P energy: -159.165
bonds (distance) P-C4' energy: -161.456
flat angles C4'-P-C4' energy: -178.238
flat angles P-C4'-P energy: -129.618
tors. eta vs tors. theta energy: -237.234
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2633.095781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.095781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.870782 (E_RNA)
where:
Base-Base interactions energy: -1807.174
where: short stacking energy: -762.310
Base-Backbone interact. energy: 1.120
local terms energy: -830.817003
where:
bonds (distance) C4'-P energy: -152.734
bonds (distance) P-C4' energy: -149.549
flat angles C4'-P-C4' energy: -174.719
flat angles P-C4'-P energy: -120.975
tors. eta vs tors. theta energy: -232.840
Dist. restrs. and SS energy: 3.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2540.032100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.032100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.443783 (E_RNA)
where:
Base-Base interactions energy: -1759.974
where: short stacking energy: -738.475
Base-Backbone interact. energy: 1.438
local terms energy: -782.907999
where:
bonds (distance) C4'-P energy: -137.816
bonds (distance) P-C4' energy: -143.745
flat angles C4'-P-C4' energy: -173.401
flat angles P-C4'-P energy: -127.768
tors. eta vs tors. theta energy: -200.178
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2383.060938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.060938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.204075 (E_RNA)
where:
Base-Base interactions energy: -1632.362
where: short stacking energy: -698.437
Base-Backbone interact. energy: 2.284
local terms energy: -754.126152
where:
bonds (distance) C4'-P energy: -142.018
bonds (distance) P-C4' energy: -144.299
flat angles C4'-P-C4' energy: -171.684
flat angles P-C4'-P energy: -103.976
tors. eta vs tors. theta energy: -192.150
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: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2323.470389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.470389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.828568 (E_RNA)
where:
Base-Base interactions energy: -1594.100
where: short stacking energy: -691.117
Base-Backbone interact. energy: 6.971
local terms energy: -738.700055
where:
bonds (distance) C4'-P energy: -154.888
bonds (distance) P-C4' energy: -142.891
flat angles C4'-P-C4' energy: -164.474
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -186.250
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2085.425067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.425067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.251183 (E_RNA)
where:
Base-Base interactions energy: -1419.715
where: short stacking energy: -638.284
Base-Backbone interact. energy: 7.810
local terms energy: -675.346128
where:
bonds (distance) C4'-P energy: -129.139
bonds (distance) P-C4' energy: -135.124
flat angles C4'-P-C4' energy: -138.277
flat angles P-C4'-P energy: -103.504
tors. eta vs tors. theta energy: -169.303
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2002.281837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.281837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.090391 (E_RNA)
where:
Base-Base interactions energy: -1353.787
where: short stacking energy: -568.355
Base-Backbone interact. energy: 2.995
local terms energy: -655.298210
where:
bonds (distance) C4'-P energy: -126.491
bonds (distance) P-C4' energy: -142.832
flat angles C4'-P-C4' energy: -134.199
flat angles P-C4'-P energy: -94.410
tors. eta vs tors. theta energy: -157.366
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: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1960.683916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.683916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.041766 (E_RNA)
where:
Base-Base interactions energy: -1313.739
where: short stacking energy: -543.140
Base-Backbone interact. energy: 1.996
local terms energy: -651.298906
where:
bonds (distance) C4'-P energy: -128.684
bonds (distance) P-C4' energy: -161.623
flat angles C4'-P-C4' energy: -131.101
flat angles P-C4'-P energy: -98.255
tors. eta vs tors. theta energy: -131.636
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1912.436689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.436689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.178178 (E_RNA)
where:
Base-Base interactions energy: -1314.644
where: short stacking energy: -531.456
Base-Backbone interact. energy: 4.233
local terms energy: -605.766974
where:
bonds (distance) C4'-P energy: -124.176
bonds (distance) P-C4' energy: -143.710
flat angles C4'-P-C4' energy: -126.990
flat angles P-C4'-P energy: -72.588
tors. eta vs tors. theta energy: -138.304
Dist. restrs. and SS energy: 3.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2895.362849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.362849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.628703 (E_RNA)
where:
Base-Base interactions energy: -2025.455
where: short stacking energy: -845.415
Base-Backbone interact. energy: -2.978
local terms energy: -868.195576
where:
bonds (distance) C4'-P energy: -151.858
bonds (distance) P-C4' energy: -157.630
flat angles C4'-P-C4' energy: -191.368
flat angles P-C4'-P energy: -121.348
tors. eta vs tors. theta energy: -245.991
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2820.663777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.663777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.985128 (E_RNA)
where:
Base-Base interactions energy: -1969.180
where: short stacking energy: -835.090
Base-Backbone interact. energy: -0.331
local terms energy: -852.474231
where:
bonds (distance) C4'-P energy: -153.729
bonds (distance) P-C4' energy: -155.040
flat angles C4'-P-C4' energy: -175.547
flat angles P-C4'-P energy: -127.214
tors. eta vs tors. theta energy: -240.945
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2677.527185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.527185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.440637 (E_RNA)
where:
Base-Base interactions energy: -1817.959
where: short stacking energy: -765.249
Base-Backbone interact. energy: 0.058
local terms energy: -862.539210
where:
bonds (distance) C4'-P energy: -168.982
bonds (distance) P-C4' energy: -169.857
flat angles C4'-P-C4' energy: -178.429
flat angles P-C4'-P energy: -117.116
tors. eta vs tors. theta energy: -228.154
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2579.471866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.471866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.157253 (E_RNA)
where:
Base-Base interactions energy: -1768.704
where: short stacking energy: -739.187
Base-Backbone interact. energy: -2.340
local terms energy: -811.113160
where:
bonds (distance) C4'-P energy: -151.822
bonds (distance) P-C4' energy: -155.796
flat angles C4'-P-C4' energy: -174.984
flat angles P-C4'-P energy: -112.050
tors. eta vs tors. theta energy: -216.462
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2385.160790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.160790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.437453 (E_RNA)
where:
Base-Base interactions energy: -1613.190
where: short stacking energy: -686.788
Base-Backbone interact. energy: 1.928
local terms energy: -776.175760
where:
bonds (distance) C4'-P energy: -154.872
bonds (distance) P-C4' energy: -151.699
flat angles C4'-P-C4' energy: -172.878
flat angles P-C4'-P energy: -105.314
tors. eta vs tors. theta energy: -191.412
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: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2310.950087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.950087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.029169 (E_RNA)
where:
Base-Base interactions energy: -1582.272
where: short stacking energy: -674.555
Base-Backbone interact. energy: 4.478
local terms energy: -736.234838
where:
bonds (distance) C4'-P energy: -148.716
bonds (distance) P-C4' energy: -139.417
flat angles C4'-P-C4' energy: -168.946
flat angles P-C4'-P energy: -93.616
tors. eta vs tors. theta energy: -185.540
Dist. restrs. and SS energy: 3.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2126.715018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.715018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.744880 (E_RNA)
where:
Base-Base interactions energy: -1459.649
where: short stacking energy: -609.121
Base-Backbone interact. energy: 6.875
local terms energy: -676.970840
where:
bonds (distance) C4'-P energy: -130.664
bonds (distance) P-C4' energy: -126.084
flat angles C4'-P-C4' energy: -165.886
flat angles P-C4'-P energy: -88.802
tors. eta vs tors. theta energy: -165.535
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: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2025.921757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.921757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.986521 (E_RNA)
where:
Base-Base interactions energy: -1351.850
where: short stacking energy: -570.871
Base-Backbone interact. energy: -0.239
local terms energy: -676.897388
where:
bonds (distance) C4'-P energy: -153.198
bonds (distance) P-C4' energy: -125.684
flat angles C4'-P-C4' energy: -157.648
flat angles P-C4'-P energy: -87.495
tors. eta vs tors. theta energy: -152.872
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: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1925.593491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.593491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.612741 (E_RNA)
where:
Base-Base interactions energy: -1290.060
where: short stacking energy: -531.831
Base-Backbone interact. energy: -1.985
local terms energy: -636.567565
where:
bonds (distance) C4'-P energy: -110.728
bonds (distance) P-C4' energy: -153.098
flat angles C4'-P-C4' energy: -143.252
flat angles P-C4'-P energy: -85.993
tors. eta vs tors. theta energy: -143.496
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1857.220884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.220884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.438468 (E_RNA)
where:
Base-Base interactions energy: -1300.972
where: short stacking energy: -546.770
Base-Backbone interact. energy: 4.236
local terms energy: -562.702349
where:
bonds (distance) C4'-P energy: -125.758
bonds (distance) P-C4' energy: -130.690
flat angles C4'-P-C4' energy: -124.880
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -120.700
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2908.326472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.326472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.551703 (E_RNA)
where:
Base-Base interactions energy: -2005.993
where: short stacking energy: -825.772
Base-Backbone interact. energy: -3.218
local terms energy: -900.341300
where:
bonds (distance) C4'-P energy: -141.172
bonds (distance) P-C4' energy: -175.195
flat angles C4'-P-C4' energy: -201.708
flat angles P-C4'-P energy: -127.137
tors. eta vs tors. theta energy: -255.129
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2813.186733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.186733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.787402 (E_RNA)
where:
Base-Base interactions energy: -1936.789
where: short stacking energy: -827.465
Base-Backbone interact. energy: -1.733
local terms energy: -876.265535
where:
bonds (distance) C4'-P energy: -151.257
bonds (distance) P-C4' energy: -162.282
flat angles C4'-P-C4' energy: -199.625
flat angles P-C4'-P energy: -127.588
tors. eta vs tors. theta energy: -235.512
Dist. restrs. and SS energy: 1.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2636.544026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.544026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.261959 (E_RNA)
where:
Base-Base interactions energy: -1812.092
where: short stacking energy: -767.092
Base-Backbone interact. energy: -2.580
local terms energy: -823.589821
where:
bonds (distance) C4'-P energy: -137.830
bonds (distance) P-C4' energy: -163.218
flat angles C4'-P-C4' energy: -175.178
flat angles P-C4'-P energy: -121.305
tors. eta vs tors. theta energy: -226.059
Dist. restrs. and SS energy: 1.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2528.553564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.553564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.689644 (E_RNA)
where:
Base-Base interactions energy: -1733.466
where: short stacking energy: -728.494
Base-Backbone interact. energy: 4.222
local terms energy: -800.445755
where:
bonds (distance) C4'-P energy: -147.540
bonds (distance) P-C4' energy: -154.553
flat angles C4'-P-C4' energy: -165.890
flat angles P-C4'-P energy: -122.448
tors. eta vs tors. theta energy: -210.015
Dist. restrs. and SS energy: 1.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2350.454433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.454433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.366234 (E_RNA)
where:
Base-Base interactions energy: -1592.987
where: short stacking energy: -687.276
Base-Backbone interact. energy: -5.074
local terms energy: -756.305616
where:
bonds (distance) C4'-P energy: -151.805
bonds (distance) P-C4' energy: -134.393
flat angles C4'-P-C4' energy: -159.213
flat angles P-C4'-P energy: -112.696
tors. eta vs tors. theta energy: -198.198
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: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2327.039358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.039358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.415691 (E_RNA)
where:
Base-Base interactions energy: -1577.738
where: short stacking energy: -659.879
Base-Backbone interact. energy: 1.476
local terms energy: -753.153555
where:
bonds (distance) C4'-P energy: -139.228
bonds (distance) P-C4' energy: -151.396
flat angles C4'-P-C4' energy: -168.005
flat angles P-C4'-P energy: -100.832
tors. eta vs tors. theta energy: -193.693
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2155.723500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.723500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.557388 (E_RNA)
where:
Base-Base interactions energy: -1456.722
where: short stacking energy: -663.678
Base-Backbone interact. energy: 4.541
local terms energy: -707.376646
where:
bonds (distance) C4'-P energy: -119.669
bonds (distance) P-C4' energy: -147.928
flat angles C4'-P-C4' energy: -158.702
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -186.917
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2054.426707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.426707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.557886 (E_RNA)
where:
Base-Base interactions energy: -1375.546
where: short stacking energy: -600.470
Base-Backbone interact. energy: 1.589
local terms energy: -682.600958
where:
bonds (distance) C4'-P energy: -136.609
bonds (distance) P-C4' energy: -148.828
flat angles C4'-P-C4' energy: -158.231
flat angles P-C4'-P energy: -88.898
tors. eta vs tors. theta energy: -150.035
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: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1925.121446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.121446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.286201 (E_RNA)
where:
Base-Base interactions energy: -1311.332
where: short stacking energy: -562.172
Base-Backbone interact. energy: -1.014
local terms energy: -615.939879
where:
bonds (distance) C4'-P energy: -142.110
bonds (distance) P-C4' energy: -112.438
flat angles C4'-P-C4' energy: -158.401
flat angles P-C4'-P energy: -74.865
tors. eta vs tors. theta energy: -128.126
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1856.594877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.594877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.390782 (E_RNA)
where:
Base-Base interactions energy: -1281.658
where: short stacking energy: -516.048
Base-Backbone interact. energy: 2.988
local terms energy: -579.720697
where:
bonds (distance) C4'-P energy: -131.504
bonds (distance) P-C4' energy: -115.742
flat angles C4'-P-C4' energy: -122.836
flat angles P-C4'-P energy: -73.042
tors. eta vs tors. theta energy: -136.598
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: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2881.573220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.573220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.145962 (E_RNA)
where:
Base-Base interactions energy: -1996.621
where: short stacking energy: -831.073
Base-Backbone interact. energy: -0.106
local terms energy: -886.418538
where:
bonds (distance) C4'-P energy: -164.504
bonds (distance) P-C4' energy: -160.839
flat angles C4'-P-C4' energy: -193.863
flat angles P-C4'-P energy: -123.907
tors. eta vs tors. theta energy: -243.306
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: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2811.921808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.921808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.741241 (E_RNA)
where:
Base-Base interactions energy: -1975.615
where: short stacking energy: -821.601
Base-Backbone interact. energy: -2.770
local terms energy: -836.355937
where:
bonds (distance) C4'-P energy: -147.689
bonds (distance) P-C4' energy: -150.809
flat angles C4'-P-C4' energy: -175.680
flat angles P-C4'-P energy: -126.439
tors. eta vs tors. theta energy: -235.739
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: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2621.396694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.396694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.046011 (E_RNA)
where:
Base-Base interactions energy: -1790.060
where: short stacking energy: -765.572
Base-Backbone interact. energy: 1.158
local terms energy: -834.144786
where:
bonds (distance) C4'-P energy: -149.705
bonds (distance) P-C4' energy: -148.411
flat angles C4'-P-C4' energy: -170.267
flat angles P-C4'-P energy: -132.639
tors. eta vs tors. theta energy: -233.123
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: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2531.504651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.504651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.836411 (E_RNA)
where:
Base-Base interactions energy: -1762.070
where: short stacking energy: -733.624
Base-Backbone interact. energy: 1.187
local terms energy: -771.953234
where:
bonds (distance) C4'-P energy: -151.229
bonds (distance) P-C4' energy: -136.508
flat angles C4'-P-C4' energy: -172.991
flat angles P-C4'-P energy: -110.986
tors. eta vs tors. theta energy: -200.239
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: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2377.111297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.111297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.103129 (E_RNA)
where:
Base-Base interactions energy: -1641.648
where: short stacking energy: -710.762
Base-Backbone interact. energy: -3.544
local terms energy: -733.910681
where:
bonds (distance) C4'-P energy: -121.956
bonds (distance) P-C4' energy: -161.151
flat angles C4'-P-C4' energy: -155.829
flat angles P-C4'-P energy: -102.701
tors. eta vs tors. theta energy: -192.274
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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2317.469170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.469170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.682914 (E_RNA)
where:
Base-Base interactions energy: -1580.071
where: short stacking energy: -672.215
Base-Backbone interact. energy: 2.285
local terms energy: -740.897247
where:
bonds (distance) C4'-P energy: -147.605
bonds (distance) P-C4' energy: -145.327
flat angles C4'-P-C4' energy: -158.626
flat angles P-C4'-P energy: -103.166
tors. eta vs tors. theta energy: -186.173
Dist. restrs. and SS energy: 1.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2142.339061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.339061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.576051 (E_RNA)
where:
Base-Base interactions energy: -1475.363
where: short stacking energy: -636.750
Base-Backbone interact. energy: 4.561
local terms energy: -676.773818
where:
bonds (distance) C4'-P energy: -128.190
bonds (distance) P-C4' energy: -154.995
flat angles C4'-P-C4' energy: -141.204
flat angles P-C4'-P energy: -75.876
tors. eta vs tors. theta energy: -176.509
Dist. restrs. and SS energy: 5.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2034.275960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.275960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.161946 (E_RNA)
where:
Base-Base interactions energy: -1369.990
where: short stacking energy: -598.458
Base-Backbone interact. energy: 7.574
local terms energy: -673.746377
where:
bonds (distance) C4'-P energy: -113.701
bonds (distance) P-C4' energy: -151.001
flat angles C4'-P-C4' energy: -143.335
flat angles P-C4'-P energy: -102.042
tors. eta vs tors. theta energy: -163.668
Dist. restrs. and SS energy: 1.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1922.939188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.939188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.477808 (E_RNA)
where:
Base-Base interactions energy: -1293.311
where: short stacking energy: -543.895
Base-Backbone interact. energy: -0.543
local terms energy: -631.623891
where:
bonds (distance) C4'-P energy: -128.922
bonds (distance) P-C4' energy: -126.564
flat angles C4'-P-C4' energy: -163.156
flat angles P-C4'-P energy: -72.915
tors. eta vs tors. theta energy: -140.066
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: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1812.557268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.557268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.933433 (E_RNA)
where:
Base-Base interactions energy: -1232.124
where: short stacking energy: -501.994
Base-Backbone interact. energy: 1.124
local terms energy: -586.933341
where:
bonds (distance) C4'-P energy: -116.114
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -147.683
flat angles P-C4'-P energy: -75.186
tors. eta vs tors. theta energy: -120.708
Dist. restrs. and SS energy: 5.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2836.522877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.522877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.091685 (E_RNA)
where:
Base-Base interactions energy: -1963.551
where: short stacking energy: -837.285
Base-Backbone interact. energy: -4.081
local terms energy: -870.459350
where:
bonds (distance) C4'-P energy: -165.130
bonds (distance) P-C4' energy: -166.990
flat angles C4'-P-C4' energy: -178.210
flat angles P-C4'-P energy: -115.615
tors. eta vs tors. theta energy: -244.515
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2859.342838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.342838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.154605 (E_RNA)
where:
Base-Base interactions energy: -2014.626
where: short stacking energy: -840.872
Base-Backbone interact. energy: 0.922
local terms energy: -846.449970
where:
bonds (distance) C4'-P energy: -142.747
bonds (distance) P-C4' energy: -148.396
flat angles C4'-P-C4' energy: -189.159
flat angles P-C4'-P energy: -125.435
tors. eta vs tors. theta energy: -240.713
Dist. restrs. and SS energy: 0.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2624.439780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.439780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.974237 (E_RNA)
where:
Base-Base interactions energy: -1788.847
where: short stacking energy: -763.052
Base-Backbone interact. energy: -2.116
local terms energy: -836.010994
where:
bonds (distance) C4'-P energy: -160.966
bonds (distance) P-C4' energy: -153.817
flat angles C4'-P-C4' energy: -172.112
flat angles P-C4'-P energy: -113.490
tors. eta vs tors. theta energy: -235.627
Dist. restrs. and SS energy: 2.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2537.359161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.359161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.834572 (E_RNA)
where:
Base-Base interactions energy: -1762.913
where: short stacking energy: -743.384
Base-Backbone interact. energy: -1.283
local terms energy: -774.638936
where:
bonds (distance) C4'-P energy: -146.986
bonds (distance) P-C4' energy: -137.471
flat angles C4'-P-C4' energy: -176.501
flat angles P-C4'-P energy: -105.687
tors. eta vs tors. theta energy: -207.994
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: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2418.018831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.018831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.540090 (E_RNA)
where:
Base-Base interactions energy: -1662.816
where: short stacking energy: -702.040
Base-Backbone interact. energy: 1.754
local terms energy: -758.477541
where:
bonds (distance) C4'-P energy: -130.425
bonds (distance) P-C4' energy: -153.169
flat angles C4'-P-C4' energy: -166.013
flat angles P-C4'-P energy: -113.488
tors. eta vs tors. theta energy: -195.382
Dist. restrs. and SS energy: 1.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2297.753871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.753871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.517441 (E_RNA)
where:
Base-Base interactions energy: -1555.174
where: short stacking energy: -645.398
Base-Backbone interact. energy: 4.368
local terms energy: -748.711105
where:
bonds (distance) C4'-P energy: -137.467
bonds (distance) P-C4' energy: -154.795
flat angles C4'-P-C4' energy: -179.268
flat angles P-C4'-P energy: -102.900
tors. eta vs tors. theta energy: -174.281
Dist. restrs. and SS energy: 1.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2146.882921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.882921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.732932 (E_RNA)
where:
Base-Base interactions energy: -1453.478
where: short stacking energy: -638.511
Base-Backbone interact. energy: 1.884
local terms energy: -697.139048
where:
bonds (distance) C4'-P energy: -155.632
bonds (distance) P-C4' energy: -133.909
flat angles C4'-P-C4' energy: -143.856
flat angles P-C4'-P energy: -104.301
tors. eta vs tors. theta energy: -159.442
Dist. restrs. and SS energy: 1.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2022.390187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.390187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.319575 (E_RNA)
where:
Base-Base interactions energy: -1374.628
where: short stacking energy: -593.564
Base-Backbone interact. energy: 13.139
local terms energy: -662.831101
where:
bonds (distance) C4'-P energy: -123.586
bonds (distance) P-C4' energy: -140.846
flat angles C4'-P-C4' energy: -147.717
flat angles P-C4'-P energy: -96.622
tors. eta vs tors. theta energy: -154.060
Dist. restrs. and SS energy: 1.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1994.683578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.683578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.595472 (E_RNA)
where:
Base-Base interactions energy: -1350.767
where: short stacking energy: -561.089
Base-Backbone interact. energy: -1.479
local terms energy: -644.349520
where:
bonds (distance) C4'-P energy: -124.270
bonds (distance) P-C4' energy: -116.341
flat angles C4'-P-C4' energy: -159.054
flat angles P-C4'-P energy: -93.762
tors. eta vs tors. theta energy: -150.924
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: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1852.401477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.401477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.148644 (E_RNA)
where:
Base-Base interactions energy: -1271.695
where: short stacking energy: -497.994
Base-Backbone interact. energy: -1.771
local terms energy: -582.682836
where:
bonds (distance) C4'-P energy: -109.076
bonds (distance) P-C4' energy: -126.718
flat angles C4'-P-C4' energy: -142.306
flat angles P-C4'-P energy: -80.163
tors. eta vs tors. theta energy: -124.421
Dist. restrs. and SS energy: 3.747 (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: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2885.879044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.879044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.766822 (E_RNA)
where:
Base-Base interactions energy: -1998.913
where: short stacking energy: -837.392
Base-Backbone interact. energy: -1.855
local terms energy: -887.998413
where:
bonds (distance) C4'-P energy: -151.675
bonds (distance) P-C4' energy: -168.543
flat angles C4'-P-C4' energy: -193.481
flat angles P-C4'-P energy: -124.079
tors. eta vs tors. theta energy: -250.220
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: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2829.252661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.252661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.701417 (E_RNA)
where:
Base-Base interactions energy: -1988.843
where: short stacking energy: -837.344
Base-Backbone interact. energy: 2.478
local terms energy: -844.336286
where:
bonds (distance) C4'-P energy: -138.373
bonds (distance) P-C4' energy: -150.647
flat angles C4'-P-C4' energy: -186.059
flat angles P-C4'-P energy: -126.342
tors. eta vs tors. theta energy: -242.916
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2618.928536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.928536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.477692 (E_RNA)
where:
Base-Base interactions energy: -1782.645
where: short stacking energy: -795.361
Base-Backbone interact. energy: -5.764
local terms energy: -832.069007
where:
bonds (distance) C4'-P energy: -152.526
bonds (distance) P-C4' energy: -148.338
flat angles C4'-P-C4' energy: -176.416
flat angles P-C4'-P energy: -130.052
tors. eta vs tors. theta energy: -224.737
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: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2532.604784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.604784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.807972 (E_RNA)
where:
Base-Base interactions energy: -1718.913
where: short stacking energy: -740.991
Base-Backbone interact. energy: -2.511
local terms energy: -813.384241
where:
bonds (distance) C4'-P energy: -171.067
bonds (distance) P-C4' energy: -150.370
flat angles C4'-P-C4' energy: -176.218
flat angles P-C4'-P energy: -99.428
tors. eta vs tors. theta energy: -216.301
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: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2386.955900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.955900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.106202 (E_RNA)
where:
Base-Base interactions energy: -1634.363
where: short stacking energy: -698.348
Base-Backbone interact. energy: -1.847
local terms energy: -752.896538
where:
bonds (distance) C4'-P energy: -141.917
bonds (distance) P-C4' energy: -150.605
flat angles C4'-P-C4' energy: -157.971
flat angles P-C4'-P energy: -108.317
tors. eta vs tors. theta energy: -194.086
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2305.664206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.664206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.852254 (E_RNA)
where:
Base-Base interactions energy: -1565.751
where: short stacking energy: -670.210
Base-Backbone interact. energy: 3.696
local terms energy: -746.797465
where:
bonds (distance) C4'-P energy: -138.829
bonds (distance) P-C4' energy: -155.593
flat angles C4'-P-C4' energy: -169.588
flat angles P-C4'-P energy: -95.231
tors. eta vs tors. theta energy: -187.556
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: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2093.448028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.448028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.397676 (E_RNA)
where:
Base-Base interactions energy: -1403.990
where: short stacking energy: -612.083
Base-Backbone interact. energy: 0.877
local terms energy: -693.284752
where:
bonds (distance) C4'-P energy: -132.399
bonds (distance) P-C4' energy: -132.785
flat angles C4'-P-C4' energy: -158.722
flat angles P-C4'-P energy: -99.946
tors. eta vs tors. theta energy: -169.433
Dist. restrs. and SS energy: 2.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2015.993607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.993607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.555482 (E_RNA)
where:
Base-Base interactions energy: -1335.409
where: short stacking energy: -600.328
Base-Backbone interact. energy: 2.263
local terms energy: -685.408855
where:
bonds (distance) C4'-P energy: -121.495
bonds (distance) P-C4' energy: -146.271
flat angles C4'-P-C4' energy: -151.647
flat angles P-C4'-P energy: -93.745
tors. eta vs tors. theta energy: -172.250
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: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1941.426393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.426393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.631329 (E_RNA)
where:
Base-Base interactions energy: -1312.668
where: short stacking energy: -569.001
Base-Backbone interact. energy: 5.453
local terms energy: -637.416571
where:
bonds (distance) C4'-P energy: -125.280
bonds (distance) P-C4' energy: -138.547
flat angles C4'-P-C4' energy: -154.838
flat angles P-C4'-P energy: -80.285
tors. eta vs tors. theta energy: -138.467
Dist. restrs. and SS energy: 3.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1892.667112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.667112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.609963 (E_RNA)
where:
Base-Base interactions energy: -1249.605
where: short stacking energy: -514.077
Base-Backbone interact. energy: 1.515
local terms energy: -653.519518
where:
bonds (distance) C4'-P energy: -142.421
bonds (distance) P-C4' energy: -148.762
flat angles C4'-P-C4' energy: -147.553
flat angles P-C4'-P energy: -85.688
tors. eta vs tors. theta energy: -129.097
Dist. restrs. and SS energy: 8.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2880.998668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.998668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.286679 (E_RNA)
where:
Base-Base interactions energy: -2013.533
where: short stacking energy: -838.310
Base-Backbone interact. energy: -1.143
local terms energy: -869.611401
where:
bonds (distance) C4'-P energy: -167.460
bonds (distance) P-C4' energy: -158.852
flat angles C4'-P-C4' energy: -180.203
flat angles P-C4'-P energy: -123.912
tors. eta vs tors. theta energy: -239.183
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: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2824.672335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.672335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.513035 (E_RNA)
where:
Base-Base interactions energy: -1937.667
where: short stacking energy: -807.418
Base-Backbone interact. energy: -4.937
local terms energy: -884.909410
where:
bonds (distance) C4'-P energy: -162.738
bonds (distance) P-C4' energy: -153.224
flat angles C4'-P-C4' energy: -201.102
flat angles P-C4'-P energy: -125.264
tors. eta vs tors. theta energy: -242.581
Dist. restrs. and SS energy: 2.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2625.616112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.616112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.385349 (E_RNA)
where:
Base-Base interactions energy: -1832.811
where: short stacking energy: -778.337
Base-Backbone interact. energy: -3.593
local terms energy: -790.980933
where:
bonds (distance) C4'-P energy: -151.478
bonds (distance) P-C4' energy: -137.855
flat angles C4'-P-C4' energy: -164.297
flat angles P-C4'-P energy: -119.591
tors. eta vs tors. theta energy: -217.760
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: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2502.124240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.124240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.932525 (E_RNA)
where:
Base-Base interactions energy: -1726.813
where: short stacking energy: -716.581
Base-Backbone interact. energy: -2.987
local terms energy: -774.133244
where:
bonds (distance) C4'-P energy: -123.237
bonds (distance) P-C4' energy: -160.636
flat angles C4'-P-C4' energy: -166.888
flat angles P-C4'-P energy: -113.346
tors. eta vs tors. theta energy: -210.026
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2383.758137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.758137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.696341 (E_RNA)
where:
Base-Base interactions energy: -1604.574
where: short stacking energy: -697.379
Base-Backbone interact. energy: -3.773
local terms energy: -777.349171
where:
bonds (distance) C4'-P energy: -156.275
bonds (distance) P-C4' energy: -135.675
flat angles C4'-P-C4' energy: -170.816
flat angles P-C4'-P energy: -106.502
tors. eta vs tors. theta energy: -208.082
Dist. restrs. and SS energy: 1.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2296.903599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.903599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.625070 (E_RNA)
where:
Base-Base interactions energy: -1576.856
where: short stacking energy: -674.472
Base-Backbone interact. energy: 0.690
local terms energy: -722.459705
where:
bonds (distance) C4'-P energy: -138.439
bonds (distance) P-C4' energy: -144.436
flat angles C4'-P-C4' energy: -149.698
flat angles P-C4'-P energy: -104.761
tors. eta vs tors. theta energy: -185.126
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2083.856134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.856134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.418466 (E_RNA)
where:
Base-Base interactions energy: -1431.232
where: short stacking energy: -601.486
Base-Backbone interact. energy: 10.803
local terms energy: -664.989382
where:
bonds (distance) C4'-P energy: -130.042
bonds (distance) P-C4' energy: -126.146
flat angles C4'-P-C4' energy: -159.247
flat angles P-C4'-P energy: -92.944
tors. eta vs tors. theta energy: -156.610
Dist. restrs. and SS energy: 1.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2061.597426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.597426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.739892 (E_RNA)
where:
Base-Base interactions energy: -1379.535
where: short stacking energy: -588.046
Base-Backbone interact. energy: 8.086
local terms energy: -692.290243
where:
bonds (distance) C4'-P energy: -125.322
bonds (distance) P-C4' energy: -150.252
flat angles C4'-P-C4' energy: -153.331
flat angles P-C4'-P energy: -105.864
tors. eta vs tors. theta energy: -157.521
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1978.526302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.526302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.811884 (E_RNA)
where:
Base-Base interactions energy: -1313.486
where: short stacking energy: -541.035
Base-Backbone interact. energy: -0.479
local terms energy: -667.846720
where:
bonds (distance) C4'-P energy: -145.531
bonds (distance) P-C4' energy: -133.564
flat angles C4'-P-C4' energy: -149.839
flat angles P-C4'-P energy: -98.381
tors. eta vs tors. theta energy: -140.532
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1812.284421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.284421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.996948 (E_RNA)
where:
Base-Base interactions energy: -1266.919
where: short stacking energy: -504.484
Base-Backbone interact. energy: 2.699
local terms energy: -551.776525
where:
bonds (distance) C4'-P energy: -110.802
bonds (distance) P-C4' energy: -118.645
flat angles C4'-P-C4' energy: -115.012
flat angles P-C4'-P energy: -95.136
tors. eta vs tors. theta energy: -112.181
Dist. restrs. and SS energy: 3.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2887.622824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.622824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.818811 (E_RNA)
where:
Base-Base interactions energy: -1997.729
where: short stacking energy: -828.999
Base-Backbone interact. energy: -1.945
local terms energy: -891.144506
where:
bonds (distance) C4'-P energy: -169.449
bonds (distance) P-C4' energy: -175.953
flat angles C4'-P-C4' energy: -190.321
flat angles P-C4'-P energy: -124.415
tors. eta vs tors. theta energy: -231.007
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: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2791.454381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.454381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.964893 (E_RNA)
where:
Base-Base interactions energy: -1931.690
where: short stacking energy: -812.549
Base-Backbone interact. energy: -4.933
local terms energy: -858.341779
where:
bonds (distance) C4'-P energy: -146.015
bonds (distance) P-C4' energy: -161.994
flat angles C4'-P-C4' energy: -183.220
flat angles P-C4'-P energy: -126.643
tors. eta vs tors. theta energy: -240.470
Dist. restrs. and SS energy: 3.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2611.095983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.095983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.559317 (E_RNA)
where:
Base-Base interactions energy: -1786.866
where: short stacking energy: -776.143
Base-Backbone interact. energy: -1.986
local terms energy: -823.707638
where:
bonds (distance) C4'-P energy: -152.571
bonds (distance) P-C4' energy: -154.478
flat angles C4'-P-C4' energy: -179.800
flat angles P-C4'-P energy: -121.659
tors. eta vs tors. theta energy: -215.199
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2533.277576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.277576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.026436 (E_RNA)
where:
Base-Base interactions energy: -1776.513
where: short stacking energy: -742.478
Base-Backbone interact. energy: 6.041
local terms energy: -764.554632
where:
bonds (distance) C4'-P energy: -148.221
bonds (distance) P-C4' energy: -129.557
flat angles C4'-P-C4' energy: -170.570
flat angles P-C4'-P energy: -120.960
tors. eta vs tors. theta energy: -195.247
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: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2400.146529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.146529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.831725 (E_RNA)
where:
Base-Base interactions energy: -1631.837
where: short stacking energy: -680.564
Base-Backbone interact. energy: -0.824
local terms energy: -769.171014
where:
bonds (distance) C4'-P energy: -152.312
bonds (distance) P-C4' energy: -154.295
flat angles C4'-P-C4' energy: -173.660
flat angles P-C4'-P energy: -100.487
tors. eta vs tors. theta energy: -188.416
Dist. restrs. and SS energy: 1.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2308.946685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.946685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.365112 (E_RNA)
where:
Base-Base interactions energy: -1608.850
where: short stacking energy: -665.759
Base-Backbone interact. energy: 2.272
local terms energy: -704.786585
where:
bonds (distance) C4'-P energy: -152.801
bonds (distance) P-C4' energy: -123.541
flat angles C4'-P-C4' energy: -160.025
flat angles P-C4'-P energy: -90.840
tors. eta vs tors. theta energy: -177.580
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: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2057.519284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.519284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.900838 (E_RNA)
where:
Base-Base interactions energy: -1349.727
where: short stacking energy: -572.716
Base-Backbone interact. energy: -1.298
local terms energy: -708.875555
where:
bonds (distance) C4'-P energy: -139.553
bonds (distance) P-C4' energy: -152.300
flat angles C4'-P-C4' energy: -169.891
flat angles P-C4'-P energy: -100.681
tors. eta vs tors. theta energy: -146.451
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2041.444171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.444171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.275123 (E_RNA)
where:
Base-Base interactions energy: -1384.256
where: short stacking energy: -587.099
Base-Backbone interact. energy: -3.412
local terms energy: -656.607156
where:
bonds (distance) C4'-P energy: -130.437
bonds (distance) P-C4' energy: -123.977
flat angles C4'-P-C4' energy: -156.144
flat angles P-C4'-P energy: -97.562
tors. eta vs tors. theta energy: -148.487
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1960.073677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.073677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.354396 (E_RNA)
where:
Base-Base interactions energy: -1367.598
where: short stacking energy: -572.652
Base-Backbone interact. energy: 14.287
local terms energy: -610.043150
where:
bonds (distance) C4'-P energy: -126.630
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -134.918
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -138.865
Dist. restrs. and SS energy: 3.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1854.734345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.734345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.016976 (E_RNA)
where:
Base-Base interactions energy: -1279.574
where: short stacking energy: -538.031
Base-Backbone interact. energy: -2.305
local terms energy: -577.137502
where:
bonds (distance) C4'-P energy: -113.319
bonds (distance) P-C4' energy: -104.692
flat angles C4'-P-C4' energy: -140.909
flat angles P-C4'-P energy: -87.041
tors. eta vs tors. theta energy: -131.177
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2914.332566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.332566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.511635 (E_RNA)
where:
Base-Base interactions energy: -2031.232
where: short stacking energy: -835.279
Base-Backbone interact. energy: -4.173
local terms energy: -880.106019
where:
bonds (distance) C4'-P energy: -148.208
bonds (distance) P-C4' energy: -169.973
flat angles C4'-P-C4' energy: -198.732
flat angles P-C4'-P energy: -122.082
tors. eta vs tors. theta energy: -241.112
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2783.843659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.843659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.672524 (E_RNA)
where:
Base-Base interactions energy: -1932.686
where: short stacking energy: -819.323
Base-Backbone interact. energy: 0.633
local terms energy: -854.620186
where:
bonds (distance) C4'-P energy: -161.830
bonds (distance) P-C4' energy: -157.119
flat angles C4'-P-C4' energy: -177.207
flat angles P-C4'-P energy: -124.207
tors. eta vs tors. theta energy: -234.258
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2623.163579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.163579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.433438 (E_RNA)
where:
Base-Base interactions energy: -1790.668
where: short stacking energy: -749.226
Base-Backbone interact. energy: -0.976
local terms energy: -832.790048
where:
bonds (distance) C4'-P energy: -158.038
bonds (distance) P-C4' energy: -155.814
flat angles C4'-P-C4' energy: -176.569
flat angles P-C4'-P energy: -123.632
tors. eta vs tors. theta energy: -218.738
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2560.813802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.813802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.762418 (E_RNA)
where:
Base-Base interactions energy: -1768.782
where: short stacking energy: -730.692
Base-Backbone interact. energy: 6.059
local terms energy: -800.038781
where:
bonds (distance) C4'-P energy: -134.391
bonds (distance) P-C4' energy: -162.577
flat angles C4'-P-C4' energy: -168.088
flat angles P-C4'-P energy: -116.083
tors. eta vs tors. theta energy: -218.900
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: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2374.429733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.429733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.543203 (E_RNA)
where:
Base-Base interactions energy: -1634.564
where: short stacking energy: -686.966
Base-Backbone interact. energy: -1.579
local terms energy: -740.399893
where:
bonds (distance) C4'-P energy: -140.264
bonds (distance) P-C4' energy: -140.323
flat angles C4'-P-C4' energy: -163.456
flat angles P-C4'-P energy: -104.535
tors. eta vs tors. theta energy: -191.822
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: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2268.458856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.458856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.298496 (E_RNA)
where:
Base-Base interactions energy: -1560.368
where: short stacking energy: -658.590
Base-Backbone interact. energy: -3.720
local terms energy: -706.210206
where:
bonds (distance) C4'-P energy: -128.929
bonds (distance) P-C4' energy: -131.851
flat angles C4'-P-C4' energy: -161.133
flat angles P-C4'-P energy: -94.803
tors. eta vs tors. theta energy: -189.494
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2096.024153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.024153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.233925 (E_RNA)
where:
Base-Base interactions energy: -1421.518
where: short stacking energy: -612.244
Base-Backbone interact. energy: 7.910
local terms energy: -684.625767
where:
bonds (distance) C4'-P energy: -123.218
bonds (distance) P-C4' energy: -153.499
flat angles C4'-P-C4' energy: -149.398
flat angles P-C4'-P energy: -98.508
tors. eta vs tors. theta energy: -160.004
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: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2035.319522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.319522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.862178 (E_RNA)
where:
Base-Base interactions energy: -1366.164
where: short stacking energy: -586.559
Base-Backbone interact. energy: -1.627
local terms energy: -669.071146
where:
bonds (distance) C4'-P energy: -148.589
bonds (distance) P-C4' energy: -150.495
flat angles C4'-P-C4' energy: -146.131
flat angles P-C4'-P energy: -78.599
tors. eta vs tors. theta energy: -145.257
Dist. restrs. and SS energy: 1.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1941.794254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.794254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.213608 (E_RNA)
where:
Base-Base interactions energy: -1338.119
where: short stacking energy: -568.478
Base-Backbone interact. energy: 6.821
local terms energy: -612.914860
where:
bonds (distance) C4'-P energy: -131.367
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -142.143
flat angles P-C4'-P energy: -72.620
tors. eta vs tors. theta energy: -147.493
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1830.708123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.708123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.021373 (E_RNA)
where:
Base-Base interactions energy: -1246.035
where: short stacking energy: -504.953
Base-Backbone interact. energy: 0.248
local terms energy: -593.234290
where:
bonds (distance) C4'-P energy: -141.037
bonds (distance) P-C4' energy: -125.628
flat angles C4'-P-C4' energy: -137.002
flat angles P-C4'-P energy: -65.303
tors. eta vs tors. theta energy: -124.265
Dist. restrs. and SS energy: 8.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2920.802482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.802482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.822586 (E_RNA)
where:
Base-Base interactions energy: -2023.904
where: short stacking energy: -858.457
Base-Backbone interact. energy: -5.537
local terms energy: -893.381173
where:
bonds (distance) C4'-P energy: -159.386
bonds (distance) P-C4' energy: -162.411
flat angles C4'-P-C4' energy: -197.533
flat angles P-C4'-P energy: -129.347
tors. eta vs tors. theta energy: -244.704
Dist. restrs. and SS energy: 2.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2780.275107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.275107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.324547 (E_RNA)
where:
Base-Base interactions energy: -1946.142
where: short stacking energy: -815.525
Base-Backbone interact. energy: -3.785
local terms energy: -832.398164
where:
bonds (distance) C4'-P energy: -139.883
bonds (distance) P-C4' energy: -162.432
flat angles C4'-P-C4' energy: -186.205
flat angles P-C4'-P energy: -105.042
tors. eta vs tors. theta energy: -238.835
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2620.961277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.961277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.523567 (E_RNA)
where:
Base-Base interactions energy: -1794.514
where: short stacking energy: -773.207
Base-Backbone interact. energy: -2.902
local terms energy: -826.107824
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -166.624
flat angles C4'-P-C4' energy: -173.783
flat angles P-C4'-P energy: -117.005
tors. eta vs tors. theta energy: -227.603
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: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2569.413360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.413360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.353619 (E_RNA)
where:
Base-Base interactions energy: -1732.515
where: short stacking energy: -742.576
Base-Backbone interact. energy: -0.149
local terms energy: -837.689775
where:
bonds (distance) C4'-P energy: -158.119
bonds (distance) P-C4' energy: -175.568
flat angles C4'-P-C4' energy: -178.163
flat angles P-C4'-P energy: -115.696
tors. eta vs tors. theta energy: -210.143
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: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2374.620250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.620250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.942688 (E_RNA)
where:
Base-Base interactions energy: -1633.895
where: short stacking energy: -686.742
Base-Backbone interact. energy: -0.927
local terms energy: -741.121150
where:
bonds (distance) C4'-P energy: -138.936
bonds (distance) P-C4' energy: -148.132
flat angles C4'-P-C4' energy: -152.678
flat angles P-C4'-P energy: -99.275
tors. eta vs tors. theta energy: -202.101
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2285.876282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.876282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.553963 (E_RNA)
where:
Base-Base interactions energy: -1537.281
where: short stacking energy: -659.913
Base-Backbone interact. energy: -3.358
local terms energy: -747.914325
where:
bonds (distance) C4'-P energy: -119.865
bonds (distance) P-C4' energy: -166.379
flat angles C4'-P-C4' energy: -166.727
flat angles P-C4'-P energy: -102.988
tors. eta vs tors. theta energy: -191.956
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: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2109.567717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.567717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.143334 (E_RNA)
where:
Base-Base interactions energy: -1430.300
where: short stacking energy: -623.386
Base-Backbone interact. energy: 3.808
local terms energy: -688.650460
where:
bonds (distance) C4'-P energy: -110.681
bonds (distance) P-C4' energy: -155.999
flat angles C4'-P-C4' energy: -149.969
flat angles P-C4'-P energy: -108.364
tors. eta vs tors. theta energy: -163.638
Dist. restrs. and SS energy: 5.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1997.358112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.358112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.702145 (E_RNA)
where:
Base-Base interactions energy: -1365.518
where: short stacking energy: -596.342
Base-Backbone interact. energy: 9.014
local terms energy: -643.197662
where:
bonds (distance) C4'-P energy: -115.350
bonds (distance) P-C4' energy: -122.649
flat angles C4'-P-C4' energy: -144.970
flat angles P-C4'-P energy: -104.775
tors. eta vs tors. theta energy: -155.453
Dist. restrs. and SS energy: 2.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1940.060635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.060635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.600014 (E_RNA)
where:
Base-Base interactions energy: -1320.629
where: short stacking energy: -549.160
Base-Backbone interact. energy: 10.009
local terms energy: -632.979975
where:
bonds (distance) C4'-P energy: -119.693
bonds (distance) P-C4' energy: -131.458
flat angles C4'-P-C4' energy: -147.835
flat angles P-C4'-P energy: -89.269
tors. eta vs tors. theta energy: -144.726
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: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1874.793317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.793317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.224751 (E_RNA)
where:
Base-Base interactions energy: -1278.129
where: short stacking energy: -538.520
Base-Backbone interact. energy: -2.242
local terms energy: -596.853479
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -116.255
flat angles C4'-P-C4' energy: -154.193
flat angles P-C4'-P energy: -73.128
tors. eta vs tors. theta energy: -136.077
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: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2929.137487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.137487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.527250 (E_RNA)
where:
Base-Base interactions energy: -2031.713
where: short stacking energy: -848.126
Base-Backbone interact. energy: -2.687
local terms energy: -897.127616
where:
bonds (distance) C4'-P energy: -171.217
bonds (distance) P-C4' energy: -164.459
flat angles C4'-P-C4' energy: -194.910
flat angles P-C4'-P energy: -127.450
tors. eta vs tors. theta energy: -239.092
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: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2784.767682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.767682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.857320 (E_RNA)
where:
Base-Base interactions energy: -1911.014
where: short stacking energy: -788.757
Base-Backbone interact. energy: -2.032
local terms energy: -874.811916
where:
bonds (distance) C4'-P energy: -163.317
bonds (distance) P-C4' energy: -163.186
flat angles C4'-P-C4' energy: -178.649
flat angles P-C4'-P energy: -122.221
tors. eta vs tors. theta energy: -247.439
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2627.313463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.313463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.724212 (E_RNA)
where:
Base-Base interactions energy: -1797.524
where: short stacking energy: -788.018
Base-Backbone interact. energy: -2.904
local terms energy: -830.296070
where:
bonds (distance) C4'-P energy: -150.958
bonds (distance) P-C4' energy: -155.552
flat angles C4'-P-C4' energy: -177.236
flat angles P-C4'-P energy: -104.169
tors. eta vs tors. theta energy: -242.380
Dist. restrs. and SS energy: 3.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2551.900449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.900449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.623783 (E_RNA)
where:
Base-Base interactions energy: -1760.798
where: short stacking energy: -761.645
Base-Backbone interact. energy: 4.300
local terms energy: -797.126272
where:
bonds (distance) C4'-P energy: -151.436
bonds (distance) P-C4' energy: -142.192
flat angles C4'-P-C4' energy: -171.202
flat angles P-C4'-P energy: -115.844
tors. eta vs tors. theta energy: -216.452
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2407.099943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.099943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.212322 (E_RNA)
where:
Base-Base interactions energy: -1643.396
where: short stacking energy: -705.970
Base-Backbone interact. energy: 4.897
local terms energy: -770.712864
where:
bonds (distance) C4'-P energy: -137.249
bonds (distance) P-C4' energy: -138.724
flat angles C4'-P-C4' energy: -169.435
flat angles P-C4'-P energy: -104.971
tors. eta vs tors. theta energy: -220.335
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2241.681738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.681738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.886976 (E_RNA)
where:
Base-Base interactions energy: -1512.498
where: short stacking energy: -624.806
Base-Backbone interact. energy: -2.553
local terms energy: -728.836807
where:
bonds (distance) C4'-P energy: -160.845
bonds (distance) P-C4' energy: -134.757
flat angles C4'-P-C4' energy: -155.766
flat angles P-C4'-P energy: -88.269
tors. eta vs tors. theta energy: -189.200
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: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2100.864197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.864197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.059444 (E_RNA)
where:
Base-Base interactions energy: -1397.893
where: short stacking energy: -595.597
Base-Backbone interact. energy: 0.404
local terms energy: -705.569683
where:
bonds (distance) C4'-P energy: -126.091
bonds (distance) P-C4' energy: -148.232
flat angles C4'-P-C4' energy: -169.399
flat angles P-C4'-P energy: -96.484
tors. eta vs tors. theta energy: -165.365
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: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2013.116296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.116296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.514951 (E_RNA)
where:
Base-Base interactions energy: -1355.143
where: short stacking energy: -573.596
Base-Backbone interact. energy: -0.687
local terms energy: -659.685022
where:
bonds (distance) C4'-P energy: -111.527
bonds (distance) P-C4' energy: -133.009
flat angles C4'-P-C4' energy: -178.370
flat angles P-C4'-P energy: -81.564
tors. eta vs tors. theta energy: -155.215
Dist. restrs. and SS energy: 2.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1941.801150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.801150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.940128 (E_RNA)
where:
Base-Base interactions energy: -1312.335
where: short stacking energy: -541.688
Base-Backbone interact. energy: 1.407
local terms energy: -633.012052
where:
bonds (distance) C4'-P energy: -123.559
bonds (distance) P-C4' energy: -140.395
flat angles C4'-P-C4' energy: -141.888
flat angles P-C4'-P energy: -92.564
tors. eta vs tors. theta energy: -134.607
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1891.031970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.031970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.222747 (E_RNA)
where:
Base-Base interactions energy: -1263.150
where: short stacking energy: -517.073
Base-Backbone interact. energy: 7.039
local terms energy: -638.111638
where:
bonds (distance) C4'-P energy: -141.567
bonds (distance) P-C4' energy: -114.014
flat angles C4'-P-C4' energy: -130.086
flat angles P-C4'-P energy: -102.955
tors. eta vs tors. theta energy: -149.489
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: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2893.338199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.338199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.274208 (E_RNA)
where:
Base-Base interactions energy: -2004.564
where: short stacking energy: -828.720
Base-Backbone interact. energy: -3.241
local terms energy: -889.468675
where:
bonds (distance) C4'-P energy: -165.208
bonds (distance) P-C4' energy: -180.242
flat angles C4'-P-C4' energy: -182.045
flat angles P-C4'-P energy: -117.741
tors. eta vs tors. theta energy: -244.232
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2776.264392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.264392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.486071 (E_RNA)
where:
Base-Base interactions energy: -1930.231
where: short stacking energy: -762.684
Base-Backbone interact. energy: -4.754
local terms energy: -842.500825
where:
bonds (distance) C4'-P energy: -154.253
bonds (distance) P-C4' energy: -161.922
flat angles C4'-P-C4' energy: -197.473
flat angles P-C4'-P energy: -109.130
tors. eta vs tors. theta energy: -219.722
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: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2632.416470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.416470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.289119 (E_RNA)
where:
Base-Base interactions energy: -1792.948
where: short stacking energy: -798.912
Base-Backbone interact. energy: -0.025
local terms energy: -842.316503
where:
bonds (distance) C4'-P energy: -149.388
bonds (distance) P-C4' energy: -148.685
flat angles C4'-P-C4' energy: -179.664
flat angles P-C4'-P energy: -123.956
tors. eta vs tors. theta energy: -240.623
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: 305
Temperature: 1.050000
Total energy: -2562.967752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.967752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.349842 (E_RNA)
where:
Base-Base interactions energy: -1774.614
where: short stacking energy: -743.305
Base-Backbone interact. energy: -0.727
local terms energy: -789.008747
where:
bonds (distance) C4'-P energy: -147.617
bonds (distance) P-C4' energy: -153.361
flat angles C4'-P-C4' energy: -160.382
flat angles P-C4'-P energy: -109.288
tors. eta vs tors. theta energy: -218.361
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: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2377.082891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.082891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.037136 (E_RNA)
where:
Base-Base interactions energy: -1617.897
where: short stacking energy: -682.598
Base-Backbone interact. energy: -0.129
local terms energy: -761.010731
where:
bonds (distance) C4'-P energy: -159.235
bonds (distance) P-C4' energy: -145.679
flat angles C4'-P-C4' energy: -156.901
flat angles P-C4'-P energy: -105.999
tors. eta vs tors. theta energy: -193.197
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: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2091.086330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.086330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.551698 (E_RNA)
where:
Base-Base interactions energy: -1418.651
where: short stacking energy: -602.738
Base-Backbone interact. energy: 0.031
local terms energy: -675.931976
where:
bonds (distance) C4'-P energy: -122.501
bonds (distance) P-C4' energy: -153.004
flat angles C4'-P-C4' energy: -152.693
flat angles P-C4'-P energy: -95.815
tors. eta vs tors. theta energy: -151.919
Dist. restrs. and SS energy: 3.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2173.173717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.173717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.022322 (E_RNA)
where:
Base-Base interactions energy: -1470.399
where: short stacking energy: -619.291
Base-Backbone interact. energy: -2.305
local terms energy: -702.318524
where:
bonds (distance) C4'-P energy: -128.225
bonds (distance) P-C4' energy: -137.069
flat angles C4'-P-C4' energy: -164.046
flat angles P-C4'-P energy: -84.686
tors. eta vs tors. theta energy: -188.293
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1988.720741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.720741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.221285 (E_RNA)
where:
Base-Base interactions energy: -1344.365
where: short stacking energy: -558.411
Base-Backbone interact. energy: 5.587
local terms energy: -652.443309
where:
bonds (distance) C4'-P energy: -135.913
bonds (distance) P-C4' energy: -129.746
flat angles C4'-P-C4' energy: -147.003
flat angles P-C4'-P energy: -97.516
tors. eta vs tors. theta energy: -142.265
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1907.053918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.053918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.462518 (E_RNA)
where:
Base-Base interactions energy: -1311.038
where: short stacking energy: -569.094
Base-Backbone interact. energy: 0.535
local terms energy: -600.960131
where:
bonds (distance) C4'-P energy: -109.173
bonds (distance) P-C4' energy: -125.566
flat angles C4'-P-C4' energy: -134.408
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -143.002
Dist. restrs. and SS energy: 4.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1873.896433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.896433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.915420 (E_RNA)
where:
Base-Base interactions energy: -1258.720
where: short stacking energy: -523.622
Base-Backbone interact. energy: -0.028
local terms energy: -621.167517
where:
bonds (distance) C4'-P energy: -129.059
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -158.610
flat angles P-C4'-P energy: -79.739
tors. eta vs tors. theta energy: -131.846
Dist. restrs. and SS energy: 6.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2888.604904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.604904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.509045 (E_RNA)
where:
Base-Base interactions energy: -2002.089
where: short stacking energy: -837.363
Base-Backbone interact. energy: -6.490
local terms energy: -880.930615
where:
bonds (distance) C4'-P energy: -167.736
bonds (distance) P-C4' energy: -163.516
flat angles C4'-P-C4' energy: -189.276
flat angles P-C4'-P energy: -118.887
tors. eta vs tors. theta energy: -241.516
Dist. restrs. and SS energy: 0.904 (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: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2798.494527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.494527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.853806 (E_RNA)
where:
Base-Base interactions energy: -1938.965
where: short stacking energy: -792.385
Base-Backbone interact. energy: -6.851
local terms energy: -855.038006
where:
bonds (distance) C4'-P energy: -155.941
bonds (distance) P-C4' energy: -162.228
flat angles C4'-P-C4' energy: -185.660
flat angles P-C4'-P energy: -118.874
tors. eta vs tors. theta energy: -232.334
Dist. restrs. and SS energy: 2.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2612.646699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.646699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.126031 (E_RNA)
where:
Base-Base interactions energy: -1796.077
where: short stacking energy: -785.395
Base-Backbone interact. energy: -2.827
local terms energy: -815.222340
where:
bonds (distance) C4'-P energy: -133.004
bonds (distance) P-C4' energy: -146.349
flat angles C4'-P-C4' energy: -170.385
flat angles P-C4'-P energy: -133.861
tors. eta vs tors. theta energy: -231.624
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2607.444028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.444028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.840517 (E_RNA)
where:
Base-Base interactions energy: -1819.789
where: short stacking energy: -746.839
Base-Backbone interact. energy: 0.789
local terms energy: -790.841242
where:
bonds (distance) C4'-P energy: -150.788
bonds (distance) P-C4' energy: -148.391
flat angles C4'-P-C4' energy: -165.699
flat angles P-C4'-P energy: -106.362
tors. eta vs tors. theta energy: -219.601
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: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2370.156685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.156685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.323753 (E_RNA)
where:
Base-Base interactions energy: -1618.007
where: short stacking energy: -675.329
Base-Backbone interact. energy: -0.341
local terms energy: -754.975592
where:
bonds (distance) C4'-P energy: -130.756
bonds (distance) P-C4' energy: -142.738
flat angles C4'-P-C4' energy: -175.747
flat angles P-C4'-P energy: -107.866
tors. eta vs tors. theta energy: -197.869
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: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2130.508699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.508699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.970133 (E_RNA)
where:
Base-Base interactions energy: -1429.733
where: short stacking energy: -628.011
Base-Backbone interact. energy: -1.382
local terms energy: -701.854688
where:
bonds (distance) C4'-P energy: -123.038
bonds (distance) P-C4' energy: -143.309
flat angles C4'-P-C4' energy: -167.042
flat angles P-C4'-P energy: -105.108
tors. eta vs tors. theta energy: -163.357
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: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2171.600637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.600637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.832787 (E_RNA)
where:
Base-Base interactions energy: -1454.914
where: short stacking energy: -618.759
Base-Backbone interact. energy: -1.789
local terms energy: -719.129272
where:
bonds (distance) C4'-P energy: -143.509
bonds (distance) P-C4' energy: -132.530
flat angles C4'-P-C4' energy: -176.428
flat angles P-C4'-P energy: -94.996
tors. eta vs tors. theta energy: -171.666
Dist. restrs. and SS energy: 4.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1970.872156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.872156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.417654 (E_RNA)
where:
Base-Base interactions energy: -1318.733
where: short stacking energy: -540.696
Base-Backbone interact. energy: 3.830
local terms energy: -658.514488
where:
bonds (distance) C4'-P energy: -140.585
bonds (distance) P-C4' energy: -143.092
flat angles C4'-P-C4' energy: -143.195
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -137.084
Dist. restrs. and SS energy: 2.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1932.543965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.543965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.767639 (E_RNA)
where:
Base-Base interactions energy: -1324.010
where: short stacking energy: -537.915
Base-Backbone interact. energy: 3.094
local terms energy: -613.852215
where:
bonds (distance) C4'-P energy: -131.306
bonds (distance) P-C4' energy: -113.607
flat angles C4'-P-C4' energy: -140.570
flat angles P-C4'-P energy: -80.461
tors. eta vs tors. theta energy: -147.908
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1864.704334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.704334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.801746 (E_RNA)
where:
Base-Base interactions energy: -1249.368
where: short stacking energy: -517.790
Base-Backbone interact. energy: -2.956
local terms energy: -616.477899
where:
bonds (distance) C4'-P energy: -127.535
bonds (distance) P-C4' energy: -136.405
flat angles C4'-P-C4' energy: -141.876
flat angles P-C4'-P energy: -79.957
tors. eta vs tors. theta energy: -130.705
Dist. restrs. and SS energy: 4.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2921.112852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.112852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.691652 (E_RNA)
where:
Base-Base interactions energy: -2013.300
where: short stacking energy: -848.797
Base-Backbone interact. energy: -2.535
local terms energy: -906.856895
where:
bonds (distance) C4'-P energy: -155.141
bonds (distance) P-C4' energy: -188.463
flat angles C4'-P-C4' energy: -196.356
flat angles P-C4'-P energy: -116.790
tors. eta vs tors. theta energy: -250.107
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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2816.724496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.724496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.279020 (E_RNA)
where:
Base-Base interactions energy: -1944.498
where: short stacking energy: -841.835
Base-Backbone interact. energy: -0.601
local terms energy: -873.180108
where:
bonds (distance) C4'-P energy: -159.089
bonds (distance) P-C4' energy: -159.858
flat angles C4'-P-C4' energy: -188.582
flat angles P-C4'-P energy: -126.847
tors. eta vs tors. theta energy: -238.805
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2637.408077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.408077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.658869 (E_RNA)
where:
Base-Base interactions energy: -1800.936
where: short stacking energy: -778.387
Base-Backbone interact. energy: -1.239
local terms energy: -836.484168
where:
bonds (distance) C4'-P energy: -159.445
bonds (distance) P-C4' energy: -155.475
flat angles C4'-P-C4' energy: -178.394
flat angles P-C4'-P energy: -114.567
tors. eta vs tors. theta energy: -228.604
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: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2586.577484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.577484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.183286 (E_RNA)
where:
Base-Base interactions energy: -1789.884
where: short stacking energy: -771.283
Base-Backbone interact. energy: -3.580
local terms energy: -795.719851
where:
bonds (distance) C4'-P energy: -143.900
bonds (distance) P-C4' energy: -160.765
flat angles C4'-P-C4' energy: -148.477
flat angles P-C4'-P energy: -119.849
tors. eta vs tors. theta energy: -222.729
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: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2413.011017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.011017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.661664 (E_RNA)
where:
Base-Base interactions energy: -1658.136
where: short stacking energy: -709.482
Base-Backbone interact. energy: 2.242
local terms energy: -759.767110
where:
bonds (distance) C4'-P energy: -131.751
bonds (distance) P-C4' energy: -163.230
flat angles C4'-P-C4' energy: -164.263
flat angles P-C4'-P energy: -108.155
tors. eta vs tors. theta energy: -192.368
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2165.617925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.617925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.115262 (E_RNA)
where:
Base-Base interactions energy: -1436.852
where: short stacking energy: -643.053
Base-Backbone interact. energy: -0.662
local terms energy: -730.601867
where:
bonds (distance) C4'-P energy: -134.743
bonds (distance) P-C4' energy: -147.881
flat angles C4'-P-C4' energy: -174.388
flat angles P-C4'-P energy: -103.084
tors. eta vs tors. theta energy: -170.505
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2221.706626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.706626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.700014 (E_RNA)
where:
Base-Base interactions energy: -1539.497
where: short stacking energy: -627.798
Base-Backbone interact. energy: 2.987
local terms energy: -687.190466
where:
bonds (distance) C4'-P energy: -123.730
bonds (distance) P-C4' energy: -131.928
flat angles C4'-P-C4' energy: -158.390
flat angles P-C4'-P energy: -98.082
tors. eta vs tors. theta energy: -175.060
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: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1999.657609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.657609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.652620 (E_RNA)
where:
Base-Base interactions energy: -1351.460
where: short stacking energy: -581.373
Base-Backbone interact. energy: -1.060
local terms energy: -650.132404
where:
bonds (distance) C4'-P energy: -119.844
bonds (distance) P-C4' energy: -141.758
flat angles C4'-P-C4' energy: -145.943
flat angles P-C4'-P energy: -82.788
tors. eta vs tors. theta energy: -159.800
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: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1873.761089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.761089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.483999 (E_RNA)
where:
Base-Base interactions energy: -1263.918
where: short stacking energy: -546.224
Base-Backbone interact. energy: 1.484
local terms energy: -615.049773
where:
bonds (distance) C4'-P energy: -128.219
bonds (distance) P-C4' energy: -127.380
flat angles C4'-P-C4' energy: -136.450
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -135.693
Dist. restrs. and SS energy: 3.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1831.500700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.500700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.784601 (E_RNA)
where:
Base-Base interactions energy: -1257.229
where: short stacking energy: -505.790
Base-Backbone interact. energy: -0.400
local terms energy: -577.156259
where:
bonds (distance) C4'-P energy: -113.984
bonds (distance) P-C4' energy: -132.176
flat angles C4'-P-C4' energy: -135.870
flat angles P-C4'-P energy: -69.475
tors. eta vs tors. theta energy: -125.652
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: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2868.784367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.784367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.381689 (E_RNA)
where:
Base-Base interactions energy: -2019.043
where: short stacking energy: -841.843
Base-Backbone interact. energy: 2.529
local terms energy: -853.867908
where:
bonds (distance) C4'-P energy: -153.721
bonds (distance) P-C4' energy: -152.494
flat angles C4'-P-C4' energy: -186.792
flat angles P-C4'-P energy: -120.957
tors. eta vs tors. theta energy: -239.903
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: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2800.182734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.182734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.380502 (E_RNA)
where:
Base-Base interactions energy: -1936.601
where: short stacking energy: -787.579
Base-Backbone interact. energy: -4.406
local terms energy: -860.372865
where:
bonds (distance) C4'-P energy: -146.221
bonds (distance) P-C4' energy: -170.881
flat angles C4'-P-C4' energy: -188.029
flat angles P-C4'-P energy: -129.588
tors. eta vs tors. theta energy: -225.655
Dist. restrs. and SS energy: 1.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2681.079978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.079978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.919117 (E_RNA)
where:
Base-Base interactions energy: -1850.317
where: short stacking energy: -775.755
Base-Backbone interact. energy: -2.675
local terms energy: -830.927625
where:
bonds (distance) C4'-P energy: -147.558
bonds (distance) P-C4' energy: -158.263
flat angles C4'-P-C4' energy: -185.112
flat angles P-C4'-P energy: -115.078
tors. eta vs tors. theta energy: -224.917
Dist. restrs. and SS energy: 2.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2539.537641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.537641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.426197 (E_RNA)
where:
Base-Base interactions energy: -1737.741
where: short stacking energy: -730.693
Base-Backbone interact. energy: -3.672
local terms energy: -801.012600
where:
bonds (distance) C4'-P energy: -145.114
bonds (distance) P-C4' energy: -144.471
flat angles C4'-P-C4' energy: -170.391
flat angles P-C4'-P energy: -115.304
tors. eta vs tors. theta energy: -225.732
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: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2401.102919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.102919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.331742 (E_RNA)
where:
Base-Base interactions energy: -1617.678
where: short stacking energy: -674.440
Base-Backbone interact. energy: 4.556
local terms energy: -791.209689
where:
bonds (distance) C4'-P energy: -168.069
bonds (distance) P-C4' energy: -159.846
flat angles C4'-P-C4' energy: -168.708
flat angles P-C4'-P energy: -108.406
tors. eta vs tors. theta energy: -186.181
Dist. restrs. and SS energy: 3.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2144.513188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.513188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.302202 (E_RNA)
where:
Base-Base interactions energy: -1436.341
where: short stacking energy: -634.383
Base-Backbone interact. energy: 1.027
local terms energy: -711.988199
where:
bonds (distance) C4'-P energy: -135.913
bonds (distance) P-C4' energy: -158.107
flat angles C4'-P-C4' energy: -163.068
flat angles P-C4'-P energy: -91.603
tors. eta vs tors. theta energy: -163.297
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2193.270452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.270452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.828450 (E_RNA)
where:
Base-Base interactions energy: -1511.353
where: short stacking energy: -648.275
Base-Backbone interact. energy: -0.921
local terms energy: -682.554422
where:
bonds (distance) C4'-P energy: -136.549
bonds (distance) P-C4' energy: -138.769
flat angles C4'-P-C4' energy: -151.981
flat angles P-C4'-P energy: -91.867
tors. eta vs tors. theta energy: -163.389
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2023.001862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.001862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.172947 (E_RNA)
where:
Base-Base interactions energy: -1370.276
where: short stacking energy: -593.505
Base-Backbone interact. energy: 1.985
local terms energy: -656.882229
where:
bonds (distance) C4'-P energy: -139.029
bonds (distance) P-C4' energy: -113.894
flat angles C4'-P-C4' energy: -160.183
flat angles P-C4'-P energy: -98.600
tors. eta vs tors. theta energy: -145.175
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1930.132419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.132419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.135537 (E_RNA)
where:
Base-Base interactions energy: -1320.571
where: short stacking energy: -537.116
Base-Backbone interact. energy: 0.386
local terms energy: -612.950145
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -146.308
flat angles C4'-P-C4' energy: -143.070
flat angles P-C4'-P energy: -76.663
tors. eta vs tors. theta energy: -134.862
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: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1855.861807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.861807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.133654 (E_RNA)
where:
Base-Base interactions energy: -1268.274
where: short stacking energy: -532.782
Base-Backbone interact. energy: 8.001
local terms energy: -600.860457
where:
bonds (distance) C4'-P energy: -131.445
bonds (distance) P-C4' energy: -130.922
flat angles C4'-P-C4' energy: -124.743
flat angles P-C4'-P energy: -88.062
tors. eta vs tors. theta energy: -125.689
Dist. restrs. and SS energy: 5.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2901.617079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.617079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.897410 (E_RNA)
where:
Base-Base interactions energy: -2041.073
where: short stacking energy: -848.183
Base-Backbone interact. energy: -4.056
local terms energy: -857.768812
where:
bonds (distance) C4'-P energy: -156.907
bonds (distance) P-C4' energy: -164.094
flat angles C4'-P-C4' energy: -177.466
flat angles P-C4'-P energy: -116.621
tors. eta vs tors. theta energy: -242.681
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2759.140993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.140993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.402345 (E_RNA)
where:
Base-Base interactions energy: -1909.191
where: short stacking energy: -775.135
Base-Backbone interact. energy: -4.233
local terms energy: -847.978223
where:
bonds (distance) C4'-P energy: -143.134
bonds (distance) P-C4' energy: -175.030
flat angles C4'-P-C4' energy: -164.345
flat angles P-C4'-P energy: -129.574
tors. eta vs tors. theta energy: -235.896
Dist. restrs. and SS energy: 2.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2679.976893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.976893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.605134 (E_RNA)
where:
Base-Base interactions energy: -1841.949
where: short stacking energy: -762.599
Base-Backbone interact. energy: -2.631
local terms energy: -838.025099
where:
bonds (distance) C4'-P energy: -156.772
bonds (distance) P-C4' energy: -145.969
flat angles C4'-P-C4' energy: -190.313
flat angles P-C4'-P energy: -118.155
tors. eta vs tors. theta energy: -226.816
Dist. restrs. and SS energy: 2.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2596.125304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.125304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.923454 (E_RNA)
where:
Base-Base interactions energy: -1796.414
where: short stacking energy: -746.645
Base-Backbone interact. energy: -1.657
local terms energy: -799.853359
where:
bonds (distance) C4'-P energy: -147.890
bonds (distance) P-C4' energy: -155.820
flat angles C4'-P-C4' energy: -166.105
flat angles P-C4'-P energy: -108.962
tors. eta vs tors. theta energy: -221.076
Dist. restrs. and SS energy: 1.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2416.153849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.153849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.208566 (E_RNA)
where:
Base-Base interactions energy: -1650.581
where: short stacking energy: -696.290
Base-Backbone interact. energy: -0.083
local terms energy: -767.544599
where:
bonds (distance) C4'-P energy: -138.849
bonds (distance) P-C4' energy: -155.812
flat angles C4'-P-C4' energy: -172.214
flat angles P-C4'-P energy: -106.703
tors. eta vs tors. theta energy: -193.967
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: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2288.467748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.467748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.770952 (E_RNA)
where:
Base-Base interactions energy: -1551.365
where: short stacking energy: -663.625
Base-Backbone interact. energy: -2.037
local terms energy: -736.368317
where:
bonds (distance) C4'-P energy: -155.043
bonds (distance) P-C4' energy: -128.927
flat angles C4'-P-C4' energy: -154.503
flat angles P-C4'-P energy: -123.105
tors. eta vs tors. theta energy: -174.789
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2083.651237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.651237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.281829 (E_RNA)
where:
Base-Base interactions energy: -1395.597
where: short stacking energy: -614.224
Base-Backbone interact. energy: 2.525
local terms energy: -693.209237
where:
bonds (distance) C4'-P energy: -144.376
bonds (distance) P-C4' energy: -126.289
flat angles C4'-P-C4' energy: -148.001
flat angles P-C4'-P energy: -103.448
tors. eta vs tors. theta energy: -171.094
Dist. restrs. and SS energy: 2.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2011.110358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.110358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.136292 (E_RNA)
where:
Base-Base interactions energy: -1355.475
where: short stacking energy: -594.870
Base-Backbone interact. energy: -3.907
local terms energy: -653.754368
where:
bonds (distance) C4'-P energy: -124.344
bonds (distance) P-C4' energy: -141.144
flat angles C4'-P-C4' energy: -153.087
flat angles P-C4'-P energy: -82.551
tors. eta vs tors. theta energy: -152.628
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1903.412916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.412916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.227913 (E_RNA)
where:
Base-Base interactions energy: -1307.684
where: short stacking energy: -584.288
Base-Backbone interact. energy: -0.821
local terms energy: -597.722571
where:
bonds (distance) C4'-P energy: -116.131
bonds (distance) P-C4' energy: -137.494
flat angles C4'-P-C4' energy: -126.485
flat angles P-C4'-P energy: -80.381
tors. eta vs tors. theta energy: -137.232
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: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1819.341561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.341561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.565489 (E_RNA)
where:
Base-Base interactions energy: -1227.569
where: short stacking energy: -510.383
Base-Backbone interact. energy: -0.909
local terms energy: -597.087243
where:
bonds (distance) C4'-P energy: -132.611
bonds (distance) P-C4' energy: -114.842
flat angles C4'-P-C4' energy: -137.765
flat angles P-C4'-P energy: -74.627
tors. eta vs tors. theta energy: -137.242
Dist. restrs. and SS energy: 6.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2886.766641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.766641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.876613 (E_RNA)
where:
Base-Base interactions energy: -2005.245
where: short stacking energy: -839.621
Base-Backbone interact. energy: -1.846
local terms energy: -881.785328
where:
bonds (distance) C4'-P energy: -167.500
bonds (distance) P-C4' energy: -161.211
flat angles C4'-P-C4' energy: -187.636
flat angles P-C4'-P energy: -130.995
tors. eta vs tors. theta energy: -234.445
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2799.121890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.121890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.444828 (E_RNA)
where:
Base-Base interactions energy: -1943.507
where: short stacking energy: -753.849
Base-Backbone interact. energy: -3.955
local terms energy: -852.983226
where:
bonds (distance) C4'-P energy: -149.824
bonds (distance) P-C4' energy: -156.268
flat angles C4'-P-C4' energy: -188.175
flat angles P-C4'-P energy: -122.528
tors. eta vs tors. theta energy: -236.189
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2647.970741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.970741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.762393 (E_RNA)
where:
Base-Base interactions energy: -1830.281
where: short stacking energy: -768.700
Base-Backbone interact. energy: 0.102
local terms energy: -820.583722
where:
bonds (distance) C4'-P energy: -130.499
bonds (distance) P-C4' energy: -149.345
flat angles C4'-P-C4' energy: -185.577
flat angles P-C4'-P energy: -135.087
tors. eta vs tors. theta energy: -220.076
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2611.721958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.721958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.316229 (E_RNA)
where:
Base-Base interactions energy: -1786.717
where: short stacking energy: -779.498
Base-Backbone interact. energy: -4.008
local terms energy: -823.591260
where:
bonds (distance) C4'-P energy: -142.250
bonds (distance) P-C4' energy: -159.710
flat angles C4'-P-C4' energy: -183.840
flat angles P-C4'-P energy: -109.431
tors. eta vs tors. theta energy: -228.360
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: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2395.729729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.729729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.186322 (E_RNA)
where:
Base-Base interactions energy: -1607.025
where: short stacking energy: -694.383
Base-Backbone interact. energy: -5.360
local terms energy: -785.801825
where:
bonds (distance) C4'-P energy: -136.964
bonds (distance) P-C4' energy: -147.492
flat angles C4'-P-C4' energy: -169.070
flat angles P-C4'-P energy: -119.728
tors. eta vs tors. theta energy: -212.548
Dist. restrs. and SS energy: 2.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2214.888761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.888761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.372856 (E_RNA)
where:
Base-Base interactions energy: -1523.426
where: short stacking energy: -659.337
Base-Backbone interact. energy: -0.337
local terms energy: -692.610020
where:
bonds (distance) C4'-P energy: -132.859
bonds (distance) P-C4' energy: -122.580
flat angles C4'-P-C4' energy: -153.087
flat angles P-C4'-P energy: -100.889
tors. eta vs tors. theta energy: -183.194
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2080.933056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.933056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.490519 (E_RNA)
where:
Base-Base interactions energy: -1379.785
where: short stacking energy: -601.587
Base-Backbone interact. energy: 1.971
local terms energy: -705.676662
where:
bonds (distance) C4'-P energy: -141.942
bonds (distance) P-C4' energy: -140.865
flat angles C4'-P-C4' energy: -164.647
flat angles P-C4'-P energy: -103.925
tors. eta vs tors. theta energy: -154.298
Dist. restrs. and SS energy: 2.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1994.747638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.747638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.834372 (E_RNA)
where:
Base-Base interactions energy: -1368.530
where: short stacking energy: -599.505
Base-Backbone interact. energy: -0.708
local terms energy: -627.596542
where:
bonds (distance) C4'-P energy: -118.546
bonds (distance) P-C4' energy: -117.640
flat angles C4'-P-C4' energy: -153.150
flat angles P-C4'-P energy: -92.004
tors. eta vs tors. theta energy: -146.257
Dist. restrs. and SS energy: 2.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1937.193391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.193391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.151789 (E_RNA)
where:
Base-Base interactions energy: -1326.260
where: short stacking energy: -570.559
Base-Backbone interact. energy: -3.141
local terms energy: -610.750792
where:
bonds (distance) C4'-P energy: -110.528
bonds (distance) P-C4' energy: -122.324
flat angles C4'-P-C4' energy: -143.825
flat angles P-C4'-P energy: -88.190
tors. eta vs tors. theta energy: -145.883
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: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1869.074853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.074853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.224914 (E_RNA)
where:
Base-Base interactions energy: -1263.792
where: short stacking energy: -521.422
Base-Backbone interact. energy: -2.565
local terms energy: -607.867803
where:
bonds (distance) C4'-P energy: -126.474
bonds (distance) P-C4' energy: -137.243
flat angles C4'-P-C4' energy: -142.352
flat angles P-C4'-P energy: -77.326
tors. eta vs tors. theta energy: -124.472
Dist. restrs. and SS energy: 5.150 (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: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2914.006324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.006324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.310276 (E_RNA)
where:
Base-Base interactions energy: -2029.848
where: short stacking energy: -851.842
Base-Backbone interact. energy: -3.855
local terms energy: -881.607321
where:
bonds (distance) C4'-P energy: -154.336
bonds (distance) P-C4' energy: -159.374
flat angles C4'-P-C4' energy: -190.587
flat angles P-C4'-P energy: -128.172
tors. eta vs tors. theta energy: -249.140
Dist. restrs. and SS energy: 1.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2790.582566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.582566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.297206 (E_RNA)
where:
Base-Base interactions energy: -1952.725
where: short stacking energy: -791.789
Base-Backbone interact. energy: -2.829
local terms energy: -838.742562
where:
bonds (distance) C4'-P energy: -154.041
bonds (distance) P-C4' energy: -165.286
flat angles C4'-P-C4' energy: -181.844
flat angles P-C4'-P energy: -116.394
tors. eta vs tors. theta energy: -221.177
Dist. restrs. and SS energy: 3.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2708.621086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.621086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.513450 (E_RNA)
where:
Base-Base interactions energy: -1883.931
where: short stacking energy: -812.036
Base-Backbone interact. energy: -3.326
local terms energy: -823.256408
where:
bonds (distance) C4'-P energy: -145.210
bonds (distance) P-C4' energy: -134.928
flat angles C4'-P-C4' energy: -181.414
flat angles P-C4'-P energy: -115.019
tors. eta vs tors. theta energy: -246.685
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: 311
Temperature: 1.050000
Total energy: -2530.258066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.258066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.143179 (E_RNA)
where:
Base-Base interactions energy: -1721.986
where: short stacking energy: -756.466
Base-Backbone interact. energy: -2.113
local terms energy: -809.043480
where:
bonds (distance) C4'-P energy: -150.763
bonds (distance) P-C4' energy: -164.566
flat angles C4'-P-C4' energy: -160.657
flat angles P-C4'-P energy: -111.062
tors. eta vs tors. theta energy: -221.994
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2374.162026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.162026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.069007 (E_RNA)
where:
Base-Base interactions energy: -1618.010
where: short stacking energy: -683.919
Base-Backbone interact. energy: 11.400
local terms energy: -769.459385
where:
bonds (distance) C4'-P energy: -146.704
bonds (distance) P-C4' energy: -144.603
flat angles C4'-P-C4' energy: -169.619
flat angles P-C4'-P energy: -108.254
tors. eta vs tors. theta energy: -200.280
Dist. restrs. and SS energy: 1.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2238.758435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.758435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.956093 (E_RNA)
where:
Base-Base interactions energy: -1541.810
where: short stacking energy: -683.595
Base-Backbone interact. energy: -1.225
local terms energy: -697.920841
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -147.488
flat angles C4'-P-C4' energy: -146.188
flat angles P-C4'-P energy: -98.783
tors. eta vs tors. theta energy: -171.601
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2141.206093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.206093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.404073 (E_RNA)
where:
Base-Base interactions energy: -1427.985
where: short stacking energy: -637.347
Base-Backbone interact. energy: -1.975
local terms energy: -714.444412
where:
bonds (distance) C4'-P energy: -141.168
bonds (distance) P-C4' energy: -149.546
flat angles C4'-P-C4' energy: -165.610
flat angles P-C4'-P energy: -82.725
tors. eta vs tors. theta energy: -175.396
Dist. restrs. and SS energy: 3.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2013.294309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.294309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.578935 (E_RNA)
where:
Base-Base interactions energy: -1348.845
where: short stacking energy: -559.138
Base-Backbone interact. energy: 4.027
local terms energy: -671.760855
where:
bonds (distance) C4'-P energy: -132.377
bonds (distance) P-C4' energy: -142.794
flat angles C4'-P-C4' energy: -158.540
flat angles P-C4'-P energy: -90.726
tors. eta vs tors. theta energy: -147.324
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1941.977868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.977868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.332331 (E_RNA)
where:
Base-Base interactions energy: -1336.309
where: short stacking energy: -552.270
Base-Backbone interact. energy: 4.319
local terms energy: -612.342594
where:
bonds (distance) C4'-P energy: -111.665
bonds (distance) P-C4' energy: -121.721
flat angles C4'-P-C4' energy: -154.339
flat angles P-C4'-P energy: -91.086
tors. eta vs tors. theta energy: -133.531
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: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1940.542529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.542529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.554733 (E_RNA)
where:
Base-Base interactions energy: -1325.951
where: short stacking energy: -526.381
Base-Backbone interact. energy: 5.639
local terms energy: -624.242728
where:
bonds (distance) C4'-P energy: -109.668
bonds (distance) P-C4' energy: -155.646
flat angles C4'-P-C4' energy: -145.446
flat angles P-C4'-P energy: -72.321
tors. eta vs tors. theta energy: -141.162
Dist. restrs. and SS energy: 4.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2875.317312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.317312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.053591 (E_RNA)
where:
Base-Base interactions energy: -2014.677
where: short stacking energy: -833.786
Base-Backbone interact. energy: -2.663
local terms energy: -859.713610
where:
bonds (distance) C4'-P energy: -157.773
bonds (distance) P-C4' energy: -160.476
flat angles C4'-P-C4' energy: -180.405
flat angles P-C4'-P energy: -138.513
tors. eta vs tors. theta energy: -222.547
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: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2799.395018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.395018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.667903 (E_RNA)
where:
Base-Base interactions energy: -1967.828
where: short stacking energy: -795.380
Base-Backbone interact. energy: 5.536
local terms energy: -841.376522
where:
bonds (distance) C4'-P energy: -164.881
bonds (distance) P-C4' energy: -149.872
flat angles C4'-P-C4' energy: -175.446
flat angles P-C4'-P energy: -113.321
tors. eta vs tors. theta energy: -237.856
Dist. restrs. and SS energy: 4.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2667.361914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.361914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.385521 (E_RNA)
where:
Base-Base interactions energy: -1841.788
where: short stacking energy: -772.576
Base-Backbone interact. energy: 3.421
local terms energy: -832.018357
where:
bonds (distance) C4'-P energy: -151.496
bonds (distance) P-C4' energy: -155.219
flat angles C4'-P-C4' energy: -178.255
flat angles P-C4'-P energy: -123.030
tors. eta vs tors. theta energy: -224.017
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: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2552.518526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.518526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.578087 (E_RNA)
where:
Base-Base interactions energy: -1743.146
where: short stacking energy: -746.200
Base-Backbone interact. energy: 0.069
local terms energy: -812.500899
where:
bonds (distance) C4'-P energy: -145.829
bonds (distance) P-C4' energy: -155.593
flat angles C4'-P-C4' energy: -180.233
flat angles P-C4'-P energy: -107.787
tors. eta vs tors. theta energy: -223.058
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2395.278762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.278762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.121870 (E_RNA)
where:
Base-Base interactions energy: -1630.995
where: short stacking energy: -690.656
Base-Backbone interact. energy: -3.800
local terms energy: -762.326122
where:
bonds (distance) C4'-P energy: -127.073
bonds (distance) P-C4' energy: -149.140
flat angles C4'-P-C4' energy: -175.372
flat angles P-C4'-P energy: -107.441
tors. eta vs tors. theta energy: -203.300
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2278.892542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.892542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.687435 (E_RNA)
where:
Base-Base interactions energy: -1553.536
where: short stacking energy: -679.826
Base-Backbone interact. energy: 5.181
local terms energy: -732.333167
where:
bonds (distance) C4'-P energy: -140.427
bonds (distance) P-C4' energy: -134.660
flat angles C4'-P-C4' energy: -158.335
flat angles P-C4'-P energy: -100.615
tors. eta vs tors. theta energy: -198.296
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: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2129.379752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.379752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.376027 (E_RNA)
where:
Base-Base interactions energy: -1418.686
where: short stacking energy: -627.809
Base-Backbone interact. energy: 3.924
local terms energy: -715.613821
where:
bonds (distance) C4'-P energy: -139.505
bonds (distance) P-C4' energy: -150.502
flat angles C4'-P-C4' energy: -157.947
flat angles P-C4'-P energy: -94.717
tors. eta vs tors. theta energy: -172.944
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2038.601020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.601020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.357924 (E_RNA)
where:
Base-Base interactions energy: -1375.748
where: short stacking energy: -583.372
Base-Backbone interact. energy: -1.199
local terms energy: -664.410751
where:
bonds (distance) C4'-P energy: -129.133
bonds (distance) P-C4' energy: -130.358
flat angles C4'-P-C4' energy: -152.817
flat angles P-C4'-P energy: -89.958
tors. eta vs tors. theta energy: -162.145
Dist. restrs. and SS energy: 2.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1985.142628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.142628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.410948 (E_RNA)
where:
Base-Base interactions energy: -1339.378
where: short stacking energy: -555.911
Base-Backbone interact. energy: 2.563
local terms energy: -650.595375
where:
bonds (distance) C4'-P energy: -126.418
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -139.629
flat angles P-C4'-P energy: -100.627
tors. eta vs tors. theta energy: -153.567
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1825.457115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.457115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.124246 (E_RNA)
where:
Base-Base interactions energy: -1231.795
where: short stacking energy: -512.394
Base-Backbone interact. energy: 6.679
local terms energy: -606.007945
where:
bonds (distance) C4'-P energy: -134.804
bonds (distance) P-C4' energy: -117.840
flat angles C4'-P-C4' energy: -144.260
flat angles P-C4'-P energy: -91.404
tors. eta vs tors. theta energy: -117.700
Dist. restrs. and SS energy: 5.667 (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: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2889.221366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.221366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.399710 (E_RNA)
where:
Base-Base interactions energy: -2022.951
where: short stacking energy: -820.244
Base-Backbone interact. energy: 0.303
local terms energy: -868.751964
where:
bonds (distance) C4'-P energy: -160.478
bonds (distance) P-C4' energy: -171.970
flat angles C4'-P-C4' energy: -180.819
flat angles P-C4'-P energy: -116.473
tors. eta vs tors. theta energy: -239.012
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2819.989351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.989351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.315494 (E_RNA)
where:
Base-Base interactions energy: -1953.674
where: short stacking energy: -791.381
Base-Backbone interact. energy: -2.248
local terms energy: -866.392880
where:
bonds (distance) C4'-P energy: -154.662
bonds (distance) P-C4' energy: -177.688
flat angles C4'-P-C4' energy: -172.356
flat angles P-C4'-P energy: -119.958
tors. eta vs tors. theta energy: -241.729
Dist. restrs. and SS energy: 2.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2696.559433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.559433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.520201 (E_RNA)
where:
Base-Base interactions energy: -1854.450
where: short stacking energy: -776.246
Base-Backbone interact. energy: -1.007
local terms energy: -843.063273
where:
bonds (distance) C4'-P energy: -163.595
bonds (distance) P-C4' energy: -143.294
flat angles C4'-P-C4' energy: -185.094
flat angles P-C4'-P energy: -121.666
tors. eta vs tors. theta energy: -229.415
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2540.986866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.986866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.173431 (E_RNA)
where:
Base-Base interactions energy: -1756.727
where: short stacking energy: -725.469
Base-Backbone interact. energy: -2.663
local terms energy: -783.784048
where:
bonds (distance) C4'-P energy: -133.913
bonds (distance) P-C4' energy: -138.542
flat angles C4'-P-C4' energy: -165.612
flat angles P-C4'-P energy: -117.338
tors. eta vs tors. theta energy: -228.378
Dist. restrs. and SS energy: 2.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2422.674926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.674926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.249402 (E_RNA)
where:
Base-Base interactions energy: -1684.279
where: short stacking energy: -697.533
Base-Backbone interact. energy: -2.955
local terms energy: -737.015724
where:
bonds (distance) C4'-P energy: -144.696
bonds (distance) P-C4' energy: -148.444
flat angles C4'-P-C4' energy: -172.184
flat angles P-C4'-P energy: -86.982
tors. eta vs tors. theta energy: -184.710
Dist. restrs. and SS energy: 1.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2258.243888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.243888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.290551 (E_RNA)
where:
Base-Base interactions energy: -1529.266
where: short stacking energy: -689.120
Base-Backbone interact. energy: 0.022
local terms energy: -731.046474
where:
bonds (distance) C4'-P energy: -127.602
bonds (distance) P-C4' energy: -136.430
flat angles C4'-P-C4' energy: -180.145
flat angles P-C4'-P energy: -87.581
tors. eta vs tors. theta energy: -199.289
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: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2110.768791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.768791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.460324 (E_RNA)
where:
Base-Base interactions energy: -1427.187
where: short stacking energy: -638.552
Base-Backbone interact. energy: -2.492
local terms energy: -682.781698
where:
bonds (distance) C4'-P energy: -142.719
bonds (distance) P-C4' energy: -129.755
flat angles C4'-P-C4' energy: -157.113
flat angles P-C4'-P energy: -87.975
tors. eta vs tors. theta energy: -165.220
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2063.110641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.110641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.172435 (E_RNA)
where:
Base-Base interactions energy: -1394.593
where: short stacking energy: -585.992
Base-Backbone interact. energy: 3.055
local terms energy: -675.633927
where:
bonds (distance) C4'-P energy: -128.428
bonds (distance) P-C4' energy: -161.001
flat angles C4'-P-C4' energy: -145.194
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -162.023
Dist. restrs. and SS energy: 4.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1914.059405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.059405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.297965 (E_RNA)
where:
Base-Base interactions energy: -1301.716
where: short stacking energy: -515.894
Base-Backbone interact. energy: -0.578
local terms energy: -615.004089
where:
bonds (distance) C4'-P energy: -130.423
bonds (distance) P-C4' energy: -141.623
flat angles C4'-P-C4' energy: -128.392
flat angles P-C4'-P energy: -79.098
tors. eta vs tors. theta energy: -135.469
Dist. restrs. and SS energy: 3.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1856.704464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.704464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.814585 (E_RNA)
where:
Base-Base interactions energy: -1255.494
where: short stacking energy: -510.061
Base-Backbone interact. energy: 0.663
local terms energy: -604.983164
where:
bonds (distance) C4'-P energy: -118.305
bonds (distance) P-C4' energy: -131.326
flat angles C4'-P-C4' energy: -139.144
flat angles P-C4'-P energy: -96.036
tors. eta vs tors. theta energy: -120.173
Dist. restrs. and SS energy: 3.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2882.643553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.643553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.374304 (E_RNA)
where:
Base-Base interactions energy: -2007.521
where: short stacking energy: -831.809
Base-Backbone interact. energy: -0.982
local terms energy: -876.870949
where:
bonds (distance) C4'-P energy: -166.038
bonds (distance) P-C4' energy: -155.191
flat angles C4'-P-C4' energy: -176.295
flat angles P-C4'-P energy: -129.593
tors. eta vs tors. theta energy: -249.755
Dist. restrs. and SS energy: 2.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2823.119026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.119026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.828557 (E_RNA)
where:
Base-Base interactions energy: -1985.758
where: short stacking energy: -828.832
Base-Backbone interact. energy: -3.058
local terms energy: -836.012822
where:
bonds (distance) C4'-P energy: -150.268
bonds (distance) P-C4' energy: -147.860
flat angles C4'-P-C4' energy: -180.934
flat angles P-C4'-P energy: -108.529
tors. eta vs tors. theta energy: -248.422
Dist. restrs. and SS energy: 1.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2689.481597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.481597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.689449 (E_RNA)
where:
Base-Base interactions energy: -1861.464
where: short stacking energy: -781.279
Base-Backbone interact. energy: -6.025
local terms energy: -824.200734
where:
bonds (distance) C4'-P energy: -156.772
bonds (distance) P-C4' energy: -158.022
flat angles C4'-P-C4' energy: -169.664
flat angles P-C4'-P energy: -115.044
tors. eta vs tors. theta energy: -224.698
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2548.482580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.482580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.692552 (E_RNA)
where:
Base-Base interactions energy: -1737.847
where: short stacking energy: -746.578
Base-Backbone interact. energy: 1.160
local terms energy: -814.006402
where:
bonds (distance) C4'-P energy: -140.170
bonds (distance) P-C4' energy: -167.960
flat angles C4'-P-C4' energy: -184.942
flat angles P-C4'-P energy: -103.641
tors. eta vs tors. theta energy: -217.293
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: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2378.581193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.581193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.628910 (E_RNA)
where:
Base-Base interactions energy: -1632.559
where: short stacking energy: -680.876
Base-Backbone interact. energy: -1.569
local terms energy: -745.501173
where:
bonds (distance) C4'-P energy: -140.192
bonds (distance) P-C4' energy: -140.623
flat angles C4'-P-C4' energy: -164.623
flat angles P-C4'-P energy: -113.201
tors. eta vs tors. theta energy: -186.862
Dist. restrs. and SS energy: 1.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2292.995228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.995228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.173816 (E_RNA)
where:
Base-Base interactions energy: -1583.299
where: short stacking energy: -664.426
Base-Backbone interact. energy: -4.089
local terms energy: -708.785766
where:
bonds (distance) C4'-P energy: -135.728
bonds (distance) P-C4' energy: -138.293
flat angles C4'-P-C4' energy: -159.383
flat angles P-C4'-P energy: -93.010
tors. eta vs tors. theta energy: -182.371
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2096.938898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.938898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.533185 (E_RNA)
where:
Base-Base interactions energy: -1388.974
where: short stacking energy: -605.714
Base-Backbone interact. energy: -1.349
local terms energy: -709.210513
where:
bonds (distance) C4'-P energy: -141.838
bonds (distance) P-C4' energy: -133.081
flat angles C4'-P-C4' energy: -163.361
flat angles P-C4'-P energy: -103.169
tors. eta vs tors. theta energy: -167.761
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: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -2024.850288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.850288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.970877 (E_RNA)
where:
Base-Base interactions energy: -1386.177
where: short stacking energy: -595.901
Base-Backbone interact. energy: 0.467
local terms energy: -642.260646
where:
bonds (distance) C4'-P energy: -125.959
bonds (distance) P-C4' energy: -99.830
flat angles C4'-P-C4' energy: -151.962
flat angles P-C4'-P energy: -101.677
tors. eta vs tors. theta energy: -162.833
Dist. restrs. and SS energy: 3.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1985.219013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.219013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.098662 (E_RNA)
where:
Base-Base interactions energy: -1351.748
where: short stacking energy: -557.249
Base-Backbone interact. energy: -1.424
local terms energy: -636.926630
where:
bonds (distance) C4'-P energy: -127.190
bonds (distance) P-C4' energy: -141.810
flat angles C4'-P-C4' energy: -130.399
flat angles P-C4'-P energy: -84.790
tors. eta vs tors. theta energy: -152.737
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1848.042689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.042689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.814829 (E_RNA)
where:
Base-Base interactions energy: -1264.718
where: short stacking energy: -524.972
Base-Backbone interact. energy: -1.544
local terms energy: -585.552170
where:
bonds (distance) C4'-P energy: -89.260
bonds (distance) P-C4' energy: -134.943
flat angles C4'-P-C4' energy: -144.511
flat angles P-C4'-P energy: -85.855
tors. eta vs tors. theta energy: -130.983
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2911.336934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.336934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.869881 (E_RNA)
where:
Base-Base interactions energy: -2023.013
where: short stacking energy: -841.068
Base-Backbone interact. energy: -0.189
local terms energy: -890.667411
where:
bonds (distance) C4'-P energy: -162.749
bonds (distance) P-C4' energy: -164.151
flat angles C4'-P-C4' energy: -192.989
flat angles P-C4'-P energy: -123.098
tors. eta vs tors. theta energy: -247.680
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: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2810.258754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.258754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.986908 (E_RNA)
where:
Base-Base interactions energy: -1974.672
where: short stacking energy: -838.801
Base-Backbone interact. energy: -4.663
local terms energy: -832.651399
where:
bonds (distance) C4'-P energy: -148.048
bonds (distance) P-C4' energy: -155.821
flat angles C4'-P-C4' energy: -177.305
flat angles P-C4'-P energy: -116.839
tors. eta vs tors. theta energy: -234.638
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: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2722.877124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.877124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.632314 (E_RNA)
where:
Base-Base interactions energy: -1895.460
where: short stacking energy: -814.657
Base-Backbone interact. energy: -2.198
local terms energy: -826.974983
where:
bonds (distance) C4'-P energy: -159.982
bonds (distance) P-C4' energy: -147.089
flat angles C4'-P-C4' energy: -172.027
flat angles P-C4'-P energy: -108.508
tors. eta vs tors. theta energy: -239.368
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: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2577.813477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.813477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.496913 (E_RNA)
where:
Base-Base interactions energy: -1763.175
where: short stacking energy: -759.111
Base-Backbone interact. energy: -1.230
local terms energy: -817.092475
where:
bonds (distance) C4'-P energy: -154.836
bonds (distance) P-C4' energy: -138.535
flat angles C4'-P-C4' energy: -167.753
flat angles P-C4'-P energy: -120.260
tors. eta vs tors. theta energy: -235.708
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2384.830260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.830260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.176055 (E_RNA)
where:
Base-Base interactions energy: -1638.706
where: short stacking energy: -706.298
Base-Backbone interact. energy: 0.053
local terms energy: -748.522925
where:
bonds (distance) C4'-P energy: -142.666
bonds (distance) P-C4' energy: -155.936
flat angles C4'-P-C4' energy: -162.888
flat angles P-C4'-P energy: -89.384
tors. eta vs tors. theta energy: -197.649
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: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2291.241538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.241538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.863648 (E_RNA)
where:
Base-Base interactions energy: -1549.174
where: short stacking energy: -653.536
Base-Backbone interact. energy: -2.203
local terms energy: -741.486148
where:
bonds (distance) C4'-P energy: -138.652
bonds (distance) P-C4' energy: -145.105
flat angles C4'-P-C4' energy: -170.651
flat angles P-C4'-P energy: -109.888
tors. eta vs tors. theta energy: -177.190
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2100.632787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.632787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.091952 (E_RNA)
where:
Base-Base interactions energy: -1411.038
where: short stacking energy: -614.371
Base-Backbone interact. energy: -0.311
local terms energy: -692.743318
where:
bonds (distance) C4'-P energy: -151.407
bonds (distance) P-C4' energy: -136.034
flat angles C4'-P-C4' energy: -153.031
flat angles P-C4'-P energy: -94.488
tors. eta vs tors. theta energy: -157.784
Dist. restrs. and SS energy: 3.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2028.746211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.746211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.533633 (E_RNA)
where:
Base-Base interactions energy: -1379.263
where: short stacking energy: -596.479
Base-Backbone interact. energy: -0.045
local terms energy: -652.226299
where:
bonds (distance) C4'-P energy: -132.502
bonds (distance) P-C4' energy: -131.305
flat angles C4'-P-C4' energy: -150.216
flat angles P-C4'-P energy: -83.608
tors. eta vs tors. theta energy: -154.595
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: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1930.783907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.783907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.031856 (E_RNA)
where:
Base-Base interactions energy: -1308.714
where: short stacking energy: -545.611
Base-Backbone interact. energy: 0.341
local terms energy: -626.659031
where:
bonds (distance) C4'-P energy: -118.288
bonds (distance) P-C4' energy: -120.923
flat angles C4'-P-C4' energy: -140.463
flat angles P-C4'-P energy: -110.982
tors. eta vs tors. theta energy: -136.004
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: 315
Temperature: 1.350000
Total energy: -1904.723905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.723905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.974824 (E_RNA)
where:
Base-Base interactions energy: -1330.067
where: short stacking energy: -577.059
Base-Backbone interact. energy: -2.585
local terms energy: -576.323111
where:
bonds (distance) C4'-P energy: -116.739
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -140.066
flat angles P-C4'-P energy: -71.695
tors. eta vs tors. theta energy: -143.072
Dist. restrs. and SS energy: 4.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2951.126339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.126339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.709273 (E_RNA)
where:
Base-Base interactions energy: -2051.136
where: short stacking energy: -830.668
Base-Backbone interact. energy: -0.679
local terms energy: -900.893776
where:
bonds (distance) C4'-P energy: -175.480
bonds (distance) P-C4' energy: -155.488
flat angles C4'-P-C4' energy: -196.401
flat angles P-C4'-P energy: -142.399
tors. eta vs tors. theta energy: -231.127
Dist. restrs. and SS energy: 1.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2832.892766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.892766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.703022 (E_RNA)
where:
Base-Base interactions energy: -1963.815
where: short stacking energy: -800.805
Base-Backbone interact. energy: -4.012
local terms energy: -866.876731
where:
bonds (distance) C4'-P energy: -149.771
bonds (distance) P-C4' energy: -163.752
flat angles C4'-P-C4' energy: -175.720
flat angles P-C4'-P energy: -129.405
tors. eta vs tors. theta energy: -248.228
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: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2674.471868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.471868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.950673 (E_RNA)
where:
Base-Base interactions energy: -1860.387
where: short stacking energy: -775.146
Base-Backbone interact. energy: -2.109
local terms energy: -813.455412
where:
bonds (distance) C4'-P energy: -144.045
bonds (distance) P-C4' energy: -155.265
flat angles C4'-P-C4' energy: -164.683
flat angles P-C4'-P energy: -123.187
tors. eta vs tors. theta energy: -226.274
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: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2532.601488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.601488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.438110 (E_RNA)
where:
Base-Base interactions energy: -1740.612
where: short stacking energy: -759.868
Base-Backbone interact. energy: -2.592
local terms energy: -793.234113
where:
bonds (distance) C4'-P energy: -141.539
bonds (distance) P-C4' energy: -142.418
flat angles C4'-P-C4' energy: -173.352
flat angles P-C4'-P energy: -114.280
tors. eta vs tors. theta energy: -221.645
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2392.494495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.494495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.605386 (E_RNA)
where:
Base-Base interactions energy: -1625.156
where: short stacking energy: -698.112
Base-Backbone interact. energy: -1.988
local terms energy: -768.461558
where:
bonds (distance) C4'-P energy: -137.714
bonds (distance) P-C4' energy: -160.867
flat angles C4'-P-C4' energy: -170.902
flat angles P-C4'-P energy: -98.522
tors. eta vs tors. theta energy: -200.456
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: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2309.220644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.220644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.153588 (E_RNA)
where:
Base-Base interactions energy: -1594.306
where: short stacking energy: -654.038
Base-Backbone interact. energy: 3.515
local terms energy: -720.362342
where:
bonds (distance) C4'-P energy: -124.362
bonds (distance) P-C4' energy: -147.502
flat angles C4'-P-C4' energy: -151.382
flat angles P-C4'-P energy: -107.752
tors. eta vs tors. theta energy: -189.364
Dist. restrs. and SS energy: 1.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2032.278908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.278908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.599780 (E_RNA)
where:
Base-Base interactions energy: -1342.624
where: short stacking energy: -574.809
Base-Backbone interact. energy: -1.460
local terms energy: -690.516072
where:
bonds (distance) C4'-P energy: -146.911
bonds (distance) P-C4' energy: -152.513
flat angles C4'-P-C4' energy: -162.990
flat angles P-C4'-P energy: -88.958
tors. eta vs tors. theta energy: -139.144
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2032.366391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.366391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.158493 (E_RNA)
where:
Base-Base interactions energy: -1391.437
where: short stacking energy: -580.425
Base-Backbone interact. energy: 7.042
local terms energy: -650.763053
where:
bonds (distance) C4'-P energy: -123.719
bonds (distance) P-C4' energy: -140.111
flat angles C4'-P-C4' energy: -138.725
flat angles P-C4'-P energy: -87.111
tors. eta vs tors. theta energy: -161.096
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1962.227756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.227756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.641546 (E_RNA)
where:
Base-Base interactions energy: -1333.996
where: short stacking energy: -557.802
Base-Backbone interact. energy: 3.252
local terms energy: -633.897253
where:
bonds (distance) C4'-P energy: -142.914
bonds (distance) P-C4' energy: -114.001
flat angles C4'-P-C4' energy: -159.183
flat angles P-C4'-P energy: -84.670
tors. eta vs tors. theta energy: -133.129
Dist. restrs. and SS energy: 2.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1882.181298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.181298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.368927 (E_RNA)
where:
Base-Base interactions energy: -1294.963
where: short stacking energy: -549.945
Base-Backbone interact. energy: 0.331
local terms energy: -589.736877
where:
bonds (distance) C4'-P energy: -127.381
bonds (distance) P-C4' energy: -116.096
flat angles C4'-P-C4' energy: -146.439
flat angles P-C4'-P energy: -75.282
tors. eta vs tors. theta energy: -124.539
Dist. restrs. and SS energy: 2.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2917.368764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.368764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.487157 (E_RNA)
where:
Base-Base interactions energy: -2058.937
where: short stacking energy: -848.605
Base-Backbone interact. energy: 1.245
local terms energy: -861.795034
where:
bonds (distance) C4'-P energy: -162.609
bonds (distance) P-C4' energy: -159.333
flat angles C4'-P-C4' energy: -182.416
flat angles P-C4'-P energy: -114.430
tors. eta vs tors. theta energy: -243.007
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: 317
Temperature: 0.950000
Total energy: -2825.903274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.903274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.923302 (E_RNA)
where:
Base-Base interactions energy: -1948.546
where: short stacking energy: -831.216
Base-Backbone interact. energy: 2.719
local terms energy: -881.095797
where:
bonds (distance) C4'-P energy: -152.464
bonds (distance) P-C4' energy: -171.824
flat angles C4'-P-C4' energy: -192.598
flat angles P-C4'-P energy: -117.448
tors. eta vs tors. theta energy: -246.762
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: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2672.999960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.999960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.934706 (E_RNA)
where:
Base-Base interactions energy: -1862.413
where: short stacking energy: -782.346
Base-Backbone interact. energy: 2.010
local terms energy: -814.531248
where:
bonds (distance) C4'-P energy: -145.399
bonds (distance) P-C4' energy: -145.684
flat angles C4'-P-C4' energy: -172.222
flat angles P-C4'-P energy: -126.338
tors. eta vs tors. theta energy: -224.888
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: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2494.486801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.486801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.954897 (E_RNA)
where:
Base-Base interactions energy: -1686.616
where: short stacking energy: -731.001
Base-Backbone interact. energy: -0.910
local terms energy: -809.428550
where:
bonds (distance) C4'-P energy: -148.822
bonds (distance) P-C4' energy: -156.552
flat angles C4'-P-C4' energy: -183.029
flat angles P-C4'-P energy: -109.976
tors. eta vs tors. theta energy: -211.049
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2414.292890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.292890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.890860 (E_RNA)
where:
Base-Base interactions energy: -1661.881
where: short stacking energy: -712.306
Base-Backbone interact. energy: 5.244
local terms energy: -760.253393
where:
bonds (distance) C4'-P energy: -136.811
bonds (distance) P-C4' energy: -152.240
flat angles C4'-P-C4' energy: -160.546
flat angles P-C4'-P energy: -125.964
tors. eta vs tors. theta energy: -184.693
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: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2275.683947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.683947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.069075 (E_RNA)
where:
Base-Base interactions energy: -1582.073
where: short stacking energy: -710.358
Base-Backbone interact. energy: 6.326
local terms energy: -701.322715
where:
bonds (distance) C4'-P energy: -123.753
bonds (distance) P-C4' energy: -135.678
flat angles C4'-P-C4' energy: -153.047
flat angles P-C4'-P energy: -95.076
tors. eta vs tors. theta energy: -193.769
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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2053.062872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.062872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.811342 (E_RNA)
where:
Base-Base interactions energy: -1382.629
where: short stacking energy: -573.041
Base-Backbone interact. energy: -3.158
local terms energy: -669.024163
where:
bonds (distance) C4'-P energy: -125.383
bonds (distance) P-C4' energy: -140.558
flat angles C4'-P-C4' energy: -151.642
flat angles P-C4'-P energy: -107.849
tors. eta vs tors. theta energy: -143.591
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: 317
Temperature: 1.250000
Total energy: -1975.889264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.889264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.357612 (E_RNA)
where:
Base-Base interactions energy: -1335.064
where: short stacking energy: -586.868
Base-Backbone interact. energy: 0.461
local terms energy: -643.755105
where:
bonds (distance) C4'-P energy: -123.620
bonds (distance) P-C4' energy: -136.106
flat angles C4'-P-C4' energy: -137.683
flat angles P-C4'-P energy: -85.460
tors. eta vs tors. theta energy: -160.887
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1981.626064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.626064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.572901 (E_RNA)
where:
Base-Base interactions energy: -1312.124
where: short stacking energy: -541.736
Base-Backbone interact. energy: -3.434
local terms energy: -671.014375
where:
bonds (distance) C4'-P energy: -125.098
bonds (distance) P-C4' energy: -142.339
flat angles C4'-P-C4' energy: -154.932
flat angles P-C4'-P energy: -96.185
tors. eta vs tors. theta energy: -152.461
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1917.169494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.169494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.303327 (E_RNA)
where:
Base-Base interactions energy: -1304.012
where: short stacking energy: -547.183
Base-Backbone interact. energy: 3.381
local terms energy: -619.672890
where:
bonds (distance) C4'-P energy: -131.906
bonds (distance) P-C4' energy: -109.362
flat angles C4'-P-C4' energy: -134.378
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -143.136
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2941.150212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.150212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.500279 (E_RNA)
where:
Base-Base interactions energy: -2050.138
where: short stacking energy: -850.870
Base-Backbone interact. energy: -0.419
local terms energy: -891.943767
where:
bonds (distance) C4'-P energy: -169.073
bonds (distance) P-C4' energy: -166.357
flat angles C4'-P-C4' energy: -187.856
flat angles P-C4'-P energy: -113.707
tors. eta vs tors. theta energy: -254.951
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2815.181307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.181307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.738807 (E_RNA)
where:
Base-Base interactions energy: -1970.743
where: short stacking energy: -830.157
Base-Backbone interact. energy: -3.387
local terms energy: -843.608779
where:
bonds (distance) C4'-P energy: -150.850
bonds (distance) P-C4' energy: -160.852
flat angles C4'-P-C4' energy: -187.777
flat angles P-C4'-P energy: -106.621
tors. eta vs tors. theta energy: -237.508
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2683.988230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.988230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.192868 (E_RNA)
where:
Base-Base interactions energy: -1880.586
where: short stacking energy: -802.776
Base-Backbone interact. energy: 7.017
local terms energy: -811.624094
where:
bonds (distance) C4'-P energy: -148.455
bonds (distance) P-C4' energy: -155.843
flat angles C4'-P-C4' energy: -167.559
flat angles P-C4'-P energy: -111.960
tors. eta vs tors. theta energy: -227.807
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: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2545.961072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.961072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.065831 (E_RNA)
where:
Base-Base interactions energy: -1726.249
where: short stacking energy: -737.761
Base-Backbone interact. energy: -2.224
local terms energy: -819.591969
where:
bonds (distance) C4'-P energy: -145.623
bonds (distance) P-C4' energy: -144.579
flat angles C4'-P-C4' energy: -189.148
flat angles P-C4'-P energy: -116.349
tors. eta vs tors. theta energy: -223.892
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: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2463.223857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.223857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.855960 (E_RNA)
where:
Base-Base interactions energy: -1706.693
where: short stacking energy: -716.975
Base-Backbone interact. energy: 4.678
local terms energy: -762.841401
where:
bonds (distance) C4'-P energy: -142.244
bonds (distance) P-C4' energy: -134.944
flat angles C4'-P-C4' energy: -160.629
flat angles P-C4'-P energy: -116.282
tors. eta vs tors. theta energy: -208.742
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2286.706472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.706472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.683166 (E_RNA)
where:
Base-Base interactions energy: -1540.702
where: short stacking energy: -641.493
Base-Backbone interact. energy: -1.088
local terms energy: -745.892689
where:
bonds (distance) C4'-P energy: -138.859
bonds (distance) P-C4' energy: -139.225
flat angles C4'-P-C4' energy: -169.563
flat angles P-C4'-P energy: -111.666
tors. eta vs tors. theta energy: -186.580
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2007.169181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.169181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.868680 (E_RNA)
where:
Base-Base interactions energy: -1340.854
where: short stacking energy: -568.434
Base-Backbone interact. energy: 0.000
local terms energy: -668.014847
where:
bonds (distance) C4'-P energy: -132.309
bonds (distance) P-C4' energy: -137.515
flat angles C4'-P-C4' energy: -146.848
flat angles P-C4'-P energy: -91.907
tors. eta vs tors. theta energy: -159.437
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: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1986.581091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.581091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.293025 (E_RNA)
where:
Base-Base interactions energy: -1317.965
where: short stacking energy: -561.361
Base-Backbone interact. energy: -0.015
local terms energy: -673.313220
where:
bonds (distance) C4'-P energy: -130.797
bonds (distance) P-C4' energy: -147.643
flat angles C4'-P-C4' energy: -149.609
flat angles P-C4'-P energy: -104.393
tors. eta vs tors. theta energy: -140.870
Dist. restrs. and SS energy: 4.712 (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: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1921.519488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.519488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.009428 (E_RNA)
where:
Base-Base interactions energy: -1321.609
where: short stacking energy: -577.903
Base-Backbone interact. energy: 4.365
local terms energy: -608.765448
where:
bonds (distance) C4'-P energy: -114.336
bonds (distance) P-C4' energy: -135.642
flat angles C4'-P-C4' energy: -129.715
flat angles P-C4'-P energy: -89.208
tors. eta vs tors. theta energy: -139.863
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: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1815.476338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.476338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.434817 (E_RNA)
where:
Base-Base interactions energy: -1230.958
where: short stacking energy: -511.705
Base-Backbone interact. energy: 0.869
local terms energy: -590.345808
where:
bonds (distance) C4'-P energy: -118.763
bonds (distance) P-C4' energy: -136.228
flat angles C4'-P-C4' energy: -126.201
flat angles P-C4'-P energy: -82.153
tors. eta vs tors. theta energy: -127.001
Dist. restrs. and SS energy: 4.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2891.917921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.917921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.996950 (E_RNA)
where:
Base-Base interactions energy: -2002.722
where: short stacking energy: -828.930
Base-Backbone interact. energy: -3.601
local terms energy: -886.673412
where:
bonds (distance) C4'-P energy: -170.735
bonds (distance) P-C4' energy: -160.554
flat angles C4'-P-C4' energy: -175.933
flat angles P-C4'-P energy: -132.779
tors. eta vs tors. theta energy: -246.673
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2816.580837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.580837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.279812 (E_RNA)
where:
Base-Base interactions energy: -1958.085
where: short stacking energy: -815.396
Base-Backbone interact. energy: 0.264
local terms energy: -861.458866
where:
bonds (distance) C4'-P energy: -143.748
bonds (distance) P-C4' energy: -163.891
flat angles C4'-P-C4' energy: -183.836
flat angles P-C4'-P energy: -134.276
tors. eta vs tors. theta energy: -235.708
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2666.396703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.396703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.177289 (E_RNA)
where:
Base-Base interactions energy: -1847.719
where: short stacking energy: -766.059
Base-Backbone interact. energy: -0.218
local terms energy: -820.239840
where:
bonds (distance) C4'-P energy: -152.426
bonds (distance) P-C4' energy: -147.538
flat angles C4'-P-C4' energy: -190.078
flat angles P-C4'-P energy: -116.619
tors. eta vs tors. theta energy: -213.578
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2549.607730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.607730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.129481 (E_RNA)
where:
Base-Base interactions energy: -1702.454
where: short stacking energy: -733.851
Base-Backbone interact. energy: -4.124
local terms energy: -844.550653
where:
bonds (distance) C4'-P energy: -151.036
bonds (distance) P-C4' energy: -160.271
flat angles C4'-P-C4' energy: -186.574
flat angles P-C4'-P energy: -132.687
tors. eta vs tors. theta energy: -213.983
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2409.088270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.088270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.495119 (E_RNA)
where:
Base-Base interactions energy: -1640.834
where: short stacking energy: -703.472
Base-Backbone interact. energy: -0.188
local terms energy: -769.473697
where:
bonds (distance) C4'-P energy: -164.591
bonds (distance) P-C4' energy: -130.609
flat angles C4'-P-C4' energy: -160.365
flat angles P-C4'-P energy: -108.250
tors. eta vs tors. theta energy: -205.659
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: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2271.892174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.892174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.630750 (E_RNA)
where:
Base-Base interactions energy: -1538.304
where: short stacking energy: -671.440
Base-Backbone interact. energy: -0.452
local terms energy: -734.874826
where:
bonds (distance) C4'-P energy: -127.637
bonds (distance) P-C4' energy: -145.452
flat angles C4'-P-C4' energy: -175.407
flat angles P-C4'-P energy: -103.237
tors. eta vs tors. theta energy: -183.142
Dist. restrs. and SS energy: 1.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2023.545227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.545227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.177209 (E_RNA)
where:
Base-Base interactions energy: -1379.816
where: short stacking energy: -566.772
Base-Backbone interact. energy: -0.985
local terms energy: -644.375694
where:
bonds (distance) C4'-P energy: -131.819
bonds (distance) P-C4' energy: -141.072
flat angles C4'-P-C4' energy: -136.295
flat angles P-C4'-P energy: -84.847
tors. eta vs tors. theta energy: -150.343
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2035.956681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.956681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.247986 (E_RNA)
where:
Base-Base interactions energy: -1384.862
where: short stacking energy: -587.636
Base-Backbone interact. energy: 4.545
local terms energy: -656.931345
where:
bonds (distance) C4'-P energy: -128.272
bonds (distance) P-C4' energy: -139.511
flat angles C4'-P-C4' energy: -134.681
flat angles P-C4'-P energy: -111.782
tors. eta vs tors. theta energy: -142.684
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1943.009964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.009964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.485887 (E_RNA)
where:
Base-Base interactions energy: -1349.881
where: short stacking energy: -590.683
Base-Backbone interact. energy: 8.880
local terms energy: -606.484747
where:
bonds (distance) C4'-P energy: -132.336
bonds (distance) P-C4' energy: -121.396
flat angles C4'-P-C4' energy: -126.561
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -144.046
Dist. restrs. and SS energy: 4.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1807.741506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.741506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.894234 (E_RNA)
where:
Base-Base interactions energy: -1232.412
where: short stacking energy: -507.349
Base-Backbone interact. energy: 1.566
local terms energy: -580.048190
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -109.558
flat angles C4'-P-C4' energy: -132.278
flat angles P-C4'-P energy: -100.033
tors. eta vs tors. theta energy: -130.396
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: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2862.338292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.338292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.339924 (E_RNA)
where:
Base-Base interactions energy: -1996.416
where: short stacking energy: -823.314
Base-Backbone interact. energy: -3.240
local terms energy: -864.683989
where:
bonds (distance) C4'-P energy: -158.481
bonds (distance) P-C4' energy: -156.290
flat angles C4'-P-C4' energy: -184.374
flat angles P-C4'-P energy: -121.966
tors. eta vs tors. theta energy: -243.574
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2807.384099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.384099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.738051 (E_RNA)
where:
Base-Base interactions energy: -1932.489
where: short stacking energy: -818.397
Base-Backbone interact. energy: -2.677
local terms energy: -876.572343
where:
bonds (distance) C4'-P energy: -168.422
bonds (distance) P-C4' energy: -160.278
flat angles C4'-P-C4' energy: -188.653
flat angles P-C4'-P energy: -127.912
tors. eta vs tors. theta energy: -231.306
Dist. restrs. and SS energy: 4.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2682.540771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.540771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.120685 (E_RNA)
where:
Base-Base interactions energy: -1856.686
where: short stacking energy: -773.636
Base-Backbone interact. energy: -2.177
local terms energy: -825.257066
where:
bonds (distance) C4'-P energy: -139.959
bonds (distance) P-C4' energy: -159.802
flat angles C4'-P-C4' energy: -174.478
flat angles P-C4'-P energy: -125.700
tors. eta vs tors. theta energy: -225.318
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2531.197795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.197795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.438993 (E_RNA)
where:
Base-Base interactions energy: -1723.553
where: short stacking energy: -709.920
Base-Backbone interact. energy: -3.417
local terms energy: -806.469663
where:
bonds (distance) C4'-P energy: -148.492
bonds (distance) P-C4' energy: -164.888
flat angles C4'-P-C4' energy: -165.216
flat angles P-C4'-P energy: -107.648
tors. eta vs tors. theta energy: -220.225
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2429.485646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.485646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.885154 (E_RNA)
where:
Base-Base interactions energy: -1658.714
where: short stacking energy: -701.184
Base-Backbone interact. energy: 4.639
local terms energy: -776.809397
where:
bonds (distance) C4'-P energy: -149.682
bonds (distance) P-C4' energy: -139.388
flat angles C4'-P-C4' energy: -179.682
flat angles P-C4'-P energy: -112.569
tors. eta vs tors. theta energy: -195.488
Dist. restrs. and SS energy: 1.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2268.241306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.241306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.039215 (E_RNA)
where:
Base-Base interactions energy: -1536.007
where: short stacking energy: -652.362
Base-Backbone interact. energy: -1.532
local terms energy: -732.500185
where:
bonds (distance) C4'-P energy: -148.756
bonds (distance) P-C4' energy: -142.761
flat angles C4'-P-C4' energy: -163.080
flat angles P-C4'-P energy: -100.301
tors. eta vs tors. theta energy: -177.602
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: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2063.063671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.063671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.015839 (E_RNA)
where:
Base-Base interactions energy: -1356.940
where: short stacking energy: -592.897
Base-Backbone interact. energy: -4.163
local terms energy: -704.913687
where:
bonds (distance) C4'-P energy: -145.467
bonds (distance) P-C4' energy: -166.483
flat angles C4'-P-C4' energy: -139.838
flat angles P-C4'-P energy: -101.768
tors. eta vs tors. theta energy: -151.358
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2073.009169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.009169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.102888 (E_RNA)
where:
Base-Base interactions energy: -1409.744
where: short stacking energy: -602.013
Base-Backbone interact. energy: 3.671
local terms energy: -669.029245
where:
bonds (distance) C4'-P energy: -118.871
bonds (distance) P-C4' energy: -149.974
flat angles C4'-P-C4' energy: -142.563
flat angles P-C4'-P energy: -100.277
tors. eta vs tors. theta energy: -157.345
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: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1961.014530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.014530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.468000 (E_RNA)
where:
Base-Base interactions energy: -1347.150
where: short stacking energy: -557.712
Base-Backbone interact. energy: 4.566
local terms energy: -620.883841
where:
bonds (distance) C4'-P energy: -123.148
bonds (distance) P-C4' energy: -138.022
flat angles C4'-P-C4' energy: -133.752
flat angles P-C4'-P energy: -91.376
tors. eta vs tors. theta energy: -134.586
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: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1833.800215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.800215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.087092 (E_RNA)
where:
Base-Base interactions energy: -1249.025
where: short stacking energy: -520.419
Base-Backbone interact. energy: 2.420
local terms energy: -590.481882
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -104.467
flat angles C4'-P-C4' energy: -146.686
flat angles P-C4'-P energy: -84.987
tors. eta vs tors. theta energy: -123.830
Dist. restrs. and SS energy: 3.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2912.230741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.230741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.971579 (E_RNA)
where:
Base-Base interactions energy: -2025.271
where: short stacking energy: -845.461
Base-Backbone interact. energy: -1.727
local terms energy: -886.974089
where:
bonds (distance) C4'-P energy: -157.838
bonds (distance) P-C4' energy: -157.101
flat angles C4'-P-C4' energy: -199.531
flat angles P-C4'-P energy: -118.994
tors. eta vs tors. theta energy: -253.511
Dist. restrs. and SS energy: 1.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2838.780142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.780142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.603032 (E_RNA)
where:
Base-Base interactions energy: -1971.160
where: short stacking energy: -830.721
Base-Backbone interact. energy: -4.608
local terms energy: -865.835135
where:
bonds (distance) C4'-P energy: -160.835
bonds (distance) P-C4' energy: -160.482
flat angles C4'-P-C4' energy: -169.882
flat angles P-C4'-P energy: -122.696
tors. eta vs tors. theta energy: -251.940
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2700.736055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.736055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.845624 (E_RNA)
where:
Base-Base interactions energy: -1868.576
where: short stacking energy: -778.139
Base-Backbone interact. energy: -1.541
local terms energy: -832.729016
where:
bonds (distance) C4'-P energy: -150.909
bonds (distance) P-C4' energy: -160.547
flat angles C4'-P-C4' energy: -168.824
flat angles P-C4'-P energy: -121.848
tors. eta vs tors. theta energy: -230.601
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: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2549.396494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.396494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.376960 (E_RNA)
where:
Base-Base interactions energy: -1698.604
where: short stacking energy: -736.167
Base-Backbone interact. energy: -2.586
local terms energy: -850.187767
where:
bonds (distance) C4'-P energy: -166.929
bonds (distance) P-C4' energy: -165.992
flat angles C4'-P-C4' energy: -177.014
flat angles P-C4'-P energy: -121.569
tors. eta vs tors. theta energy: -218.683
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2398.347526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.347526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.935442 (E_RNA)
where:
Base-Base interactions energy: -1647.808
where: short stacking energy: -674.444
Base-Backbone interact. energy: 4.186
local terms energy: -756.312649
where:
bonds (distance) C4'-P energy: -148.724
bonds (distance) P-C4' energy: -151.019
flat angles C4'-P-C4' energy: -156.930
flat angles P-C4'-P energy: -101.222
tors. eta vs tors. theta energy: -198.418
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: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2252.860238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.860238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.166379 (E_RNA)
where:
Base-Base interactions energy: -1494.036
where: short stacking energy: -629.826
Base-Backbone interact. energy: -2.470
local terms energy: -758.659578
where:
bonds (distance) C4'-P energy: -151.628
bonds (distance) P-C4' energy: -151.991
flat angles C4'-P-C4' energy: -177.731
flat angles P-C4'-P energy: -107.571
tors. eta vs tors. theta energy: -169.738
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2122.957175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.957175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.753529 (E_RNA)
where:
Base-Base interactions energy: -1459.900
where: short stacking energy: -627.179
Base-Backbone interact. energy: 1.189
local terms energy: -667.042223
where:
bonds (distance) C4'-P energy: -112.674
bonds (distance) P-C4' energy: -132.242
flat angles C4'-P-C4' energy: -152.442
flat angles P-C4'-P energy: -106.953
tors. eta vs tors. theta energy: -162.731
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: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2010.982638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.982638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.095582 (E_RNA)
where:
Base-Base interactions energy: -1364.349
where: short stacking energy: -580.426
Base-Backbone interact. energy: -0.339
local terms energy: -648.408303
where:
bonds (distance) C4'-P energy: -111.090
bonds (distance) P-C4' energy: -126.832
flat angles C4'-P-C4' energy: -149.106
flat angles P-C4'-P energy: -105.928
tors. eta vs tors. theta energy: -155.452
Dist. restrs. and SS energy: 2.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1954.162940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.162940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.079401 (E_RNA)
where:
Base-Base interactions energy: -1319.867
where: short stacking energy: -540.479
Base-Backbone interact. energy: -2.282
local terms energy: -635.930527
where:
bonds (distance) C4'-P energy: -137.346
bonds (distance) P-C4' energy: -138.320
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -69.561
tors. eta vs tors. theta energy: -147.152
Dist. restrs. and SS energy: 3.916 (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: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1843.630715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.630715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.128139 (E_RNA)
where:
Base-Base interactions energy: -1272.330
where: short stacking energy: -537.011
Base-Backbone interact. energy: 4.160
local terms energy: -581.958057
where:
bonds (distance) C4'-P energy: -123.709
bonds (distance) P-C4' energy: -119.125
flat angles C4'-P-C4' energy: -138.380
flat angles P-C4'-P energy: -77.502
tors. eta vs tors. theta energy: -123.242
Dist. restrs. and SS energy: 6.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2896.668562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.668562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.867071 (E_RNA)
where:
Base-Base interactions energy: -1987.702
where: short stacking energy: -818.863
Base-Backbone interact. energy: -1.801
local terms energy: -908.364782
where:
bonds (distance) C4'-P energy: -167.359
bonds (distance) P-C4' energy: -169.933
flat angles C4'-P-C4' energy: -196.227
flat angles P-C4'-P energy: -128.128
tors. eta vs tors. theta energy: -246.718
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: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2872.543054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.543054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.942560 (E_RNA)
where:
Base-Base interactions energy: -1991.582
where: short stacking energy: -834.590
Base-Backbone interact. energy: -5.043
local terms energy: -879.318001
where:
bonds (distance) C4'-P energy: -163.264
bonds (distance) P-C4' energy: -149.780
flat angles C4'-P-C4' energy: -185.339
flat angles P-C4'-P energy: -133.462
tors. eta vs tors. theta energy: -247.474
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2723.438363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.438363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.590753 (E_RNA)
where:
Base-Base interactions energy: -1887.224
where: short stacking energy: -789.276
Base-Backbone interact. energy: -5.186
local terms energy: -832.180900
where:
bonds (distance) C4'-P energy: -140.718
bonds (distance) P-C4' energy: -157.797
flat angles C4'-P-C4' energy: -184.504
flat angles P-C4'-P energy: -125.604
tors. eta vs tors. theta energy: -223.558
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: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2527.971979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.971979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.410731 (E_RNA)
where:
Base-Base interactions energy: -1721.106
where: short stacking energy: -726.374
Base-Backbone interact. energy: -2.021
local terms energy: -807.284139
where:
bonds (distance) C4'-P energy: -146.479
bonds (distance) P-C4' energy: -146.167
flat angles C4'-P-C4' energy: -175.987
flat angles P-C4'-P energy: -122.248
tors. eta vs tors. theta energy: -216.403
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: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2452.650429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.650429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.471274 (E_RNA)
where:
Base-Base interactions energy: -1681.302
where: short stacking energy: -745.350
Base-Backbone interact. energy: -1.841
local terms energy: -771.327982
where:
bonds (distance) C4'-P energy: -137.050
bonds (distance) P-C4' energy: -143.064
flat angles C4'-P-C4' energy: -175.345
flat angles P-C4'-P energy: -101.727
tors. eta vs tors. theta energy: -214.142
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: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2262.260502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.260502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.456510 (E_RNA)
where:
Base-Base interactions energy: -1530.414
where: short stacking energy: -653.040
Base-Backbone interact. energy: -4.379
local terms energy: -728.664191
where:
bonds (distance) C4'-P energy: -144.372
bonds (distance) P-C4' energy: -137.547
flat angles C4'-P-C4' energy: -161.653
flat angles P-C4'-P energy: -99.066
tors. eta vs tors. theta energy: -186.027
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: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2110.299644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.299644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.112467 (E_RNA)
where:
Base-Base interactions energy: -1438.721
where: short stacking energy: -606.845
Base-Backbone interact. energy: -3.373
local terms energy: -670.017862
where:
bonds (distance) C4'-P energy: -130.446
bonds (distance) P-C4' energy: -140.839
flat angles C4'-P-C4' energy: -133.276
flat angles P-C4'-P energy: -104.893
tors. eta vs tors. theta energy: -160.563
Dist. restrs. and SS energy: 1.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1988.931950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.931950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.412960 (E_RNA)
where:
Base-Base interactions energy: -1367.600
where: short stacking energy: -572.021
Base-Backbone interact. energy: 1.962
local terms energy: -625.775109
where:
bonds (distance) C4'-P energy: -115.071
bonds (distance) P-C4' energy: -120.728
flat angles C4'-P-C4' energy: -149.833
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -154.602
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: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1962.920539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.920539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.714984 (E_RNA)
where:
Base-Base interactions energy: -1346.743
where: short stacking energy: -564.576
Base-Backbone interact. energy: -1.210
local terms energy: -618.761617
where:
bonds (distance) C4'-P energy: -107.066
bonds (distance) P-C4' energy: -146.318
flat angles C4'-P-C4' energy: -127.905
flat angles P-C4'-P energy: -74.214
tors. eta vs tors. theta energy: -163.258
Dist. restrs. and SS energy: 3.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1876.376639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.376639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.098911 (E_RNA)
where:
Base-Base interactions energy: -1262.333
where: short stacking energy: -527.134
Base-Backbone interact. energy: -2.367
local terms energy: -618.399195
where:
bonds (distance) C4'-P energy: -134.993
bonds (distance) P-C4' energy: -136.810
flat angles C4'-P-C4' energy: -135.179
flat angles P-C4'-P energy: -77.918
tors. eta vs tors. theta energy: -133.500
Dist. restrs. and SS energy: 6.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2884.646403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.646403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.489428 (E_RNA)
where:
Base-Base interactions energy: -1992.984
where: short stacking energy: -833.579
Base-Backbone interact. energy: -2.071
local terms energy: -891.435072
where:
bonds (distance) C4'-P energy: -159.461
bonds (distance) P-C4' energy: -172.467
flat angles C4'-P-C4' energy: -188.892
flat angles P-C4'-P energy: -119.934
tors. eta vs tors. theta energy: -250.681
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: 323
Temperature: 0.950000
Total energy: -2834.340868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.340868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.910625 (E_RNA)
where:
Base-Base interactions energy: -1991.013
where: short stacking energy: -810.957
Base-Backbone interact. energy: 0.763
local terms energy: -846.660412
where:
bonds (distance) C4'-P energy: -150.146
bonds (distance) P-C4' energy: -151.184
flat angles C4'-P-C4' energy: -192.456
flat angles P-C4'-P energy: -115.798
tors. eta vs tors. theta energy: -237.076
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: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2681.076071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.076071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.700985 (E_RNA)
where:
Base-Base interactions energy: -1866.262
where: short stacking energy: -774.085
Base-Backbone interact. energy: -2.650
local terms energy: -813.788761
where:
bonds (distance) C4'-P energy: -147.669
bonds (distance) P-C4' energy: -153.172
flat angles C4'-P-C4' energy: -174.143
flat angles P-C4'-P energy: -111.579
tors. eta vs tors. theta energy: -227.226
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2534.554771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.202949 (E_RNA)
where:
Base-Base interactions energy: -1727.601
where: short stacking energy: -758.855
Base-Backbone interact. energy: 0.069
local terms energy: -809.670969
where:
bonds (distance) C4'-P energy: -152.989
bonds (distance) P-C4' energy: -134.718
flat angles C4'-P-C4' energy: -181.615
flat angles P-C4'-P energy: -117.517
tors. eta vs tors. theta energy: -222.831
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2366.661862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.661862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.767461 (E_RNA)
where:
Base-Base interactions energy: -1622.957
where: short stacking energy: -689.113
Base-Backbone interact. energy: 3.266
local terms energy: -749.077324
where:
bonds (distance) C4'-P energy: -142.997
bonds (distance) P-C4' energy: -140.511
flat angles C4'-P-C4' energy: -164.694
flat angles P-C4'-P energy: -108.601
tors. eta vs tors. theta energy: -192.274
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: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2259.926387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.926387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.269722 (E_RNA)
where:
Base-Base interactions energy: -1540.934
where: short stacking energy: -643.070
Base-Backbone interact. energy: -4.107
local terms energy: -716.228992
where:
bonds (distance) C4'-P energy: -142.689
bonds (distance) P-C4' energy: -125.255
flat angles C4'-P-C4' energy: -171.356
flat angles P-C4'-P energy: -104.066
tors. eta vs tors. theta energy: -172.862
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: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2085.127000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.127000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.952211 (E_RNA)
where:
Base-Base interactions energy: -1397.570
where: short stacking energy: -590.947
Base-Backbone interact. energy: -3.096
local terms energy: -688.286777
where:
bonds (distance) C4'-P energy: -137.256
bonds (distance) P-C4' energy: -145.375
flat angles C4'-P-C4' energy: -154.369
flat angles P-C4'-P energy: -87.150
tors. eta vs tors. theta energy: -164.137
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: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2058.126020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.126020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.025707 (E_RNA)
where:
Base-Base interactions energy: -1416.989
where: short stacking energy: -605.492
Base-Backbone interact. energy: 0.019
local terms energy: -643.056303
where:
bonds (distance) C4'-P energy: -143.090
bonds (distance) P-C4' energy: -120.052
flat angles C4'-P-C4' energy: -145.797
flat angles P-C4'-P energy: -88.262
tors. eta vs tors. theta energy: -145.855
Dist. restrs. and SS energy: 1.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1960.157611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.157611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.994048 (E_RNA)
where:
Base-Base interactions energy: -1297.094
where: short stacking energy: -552.672
Base-Backbone interact. energy: 0.335
local terms energy: -667.235257
where:
bonds (distance) C4'-P energy: -147.432
bonds (distance) P-C4' energy: -126.712
flat angles C4'-P-C4' energy: -145.442
flat angles P-C4'-P energy: -102.081
tors. eta vs tors. theta energy: -145.567
Dist. restrs. and SS energy: 3.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1819.134630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.134630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.210562 (E_RNA)
where:
Base-Base interactions energy: -1245.897
where: short stacking energy: -513.133
Base-Backbone interact. energy: -0.180
local terms energy: -576.133643
where:
bonds (distance) C4'-P energy: -127.392
bonds (distance) P-C4' energy: -111.574
flat angles C4'-P-C4' energy: -133.255
flat angles P-C4'-P energy: -80.133
tors. eta vs tors. theta energy: -123.780
Dist. restrs. and SS energy: 3.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2931.073212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.073212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.087037 (E_RNA)
where:
Base-Base interactions energy: -2024.598
where: short stacking energy: -815.839
Base-Backbone interact. energy: -2.217
local terms energy: -906.272216
where:
bonds (distance) C4'-P energy: -173.247
bonds (distance) P-C4' energy: -174.531
flat angles C4'-P-C4' energy: -197.372
flat angles P-C4'-P energy: -116.004
tors. eta vs tors. theta energy: -245.119
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2810.524263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.524263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.528873 (E_RNA)
where:
Base-Base interactions energy: -1952.747
where: short stacking energy: -828.914
Base-Backbone interact. energy: -4.884
local terms energy: -855.897988
where:
bonds (distance) C4'-P energy: -160.468
bonds (distance) P-C4' energy: -149.210
flat angles C4'-P-C4' energy: -178.863
flat angles P-C4'-P energy: -127.729
tors. eta vs tors. theta energy: -239.628
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2680.772418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.772418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.555378 (E_RNA)
where:
Base-Base interactions energy: -1865.156
where: short stacking energy: -779.818
Base-Backbone interact. energy: -0.603
local terms energy: -816.797014
where:
bonds (distance) C4'-P energy: -144.651
bonds (distance) P-C4' energy: -147.462
flat angles C4'-P-C4' energy: -180.466
flat angles P-C4'-P energy: -118.259
tors. eta vs tors. theta energy: -225.959
Dist. restrs. and SS energy: 1.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2544.654345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.654345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.658139 (E_RNA)
where:
Base-Base interactions energy: -1727.930
where: short stacking energy: -706.960
Base-Backbone interact. energy: -3.516
local terms energy: -815.211492
where:
bonds (distance) C4'-P energy: -149.461
bonds (distance) P-C4' energy: -166.160
flat angles C4'-P-C4' energy: -171.542
flat angles P-C4'-P energy: -121.248
tors. eta vs tors. theta energy: -206.801
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: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2433.753579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.753579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.864553 (E_RNA)
where:
Base-Base interactions energy: -1681.806
where: short stacking energy: -731.218
Base-Backbone interact. energy: -4.583
local terms energy: -749.476335
where:
bonds (distance) C4'-P energy: -137.263
bonds (distance) P-C4' energy: -133.713
flat angles C4'-P-C4' energy: -162.309
flat angles P-C4'-P energy: -103.525
tors. eta vs tors. theta energy: -212.666
Dist. restrs. and SS energy: 2.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2249.927546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.927546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.816068 (E_RNA)
where:
Base-Base interactions energy: -1529.190
where: short stacking energy: -647.156
Base-Backbone interact. energy: -1.129
local terms energy: -722.497205
where:
bonds (distance) C4'-P energy: -129.666
bonds (distance) P-C4' energy: -158.037
flat angles C4'-P-C4' energy: -156.999
flat angles P-C4'-P energy: -87.813
tors. eta vs tors. theta energy: -189.983
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: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2131.783822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.783822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.146915 (E_RNA)
where:
Base-Base interactions energy: -1434.899
where: short stacking energy: -619.204
Base-Backbone interact. energy: 4.927
local terms energy: -704.174745
where:
bonds (distance) C4'-P energy: -142.166
bonds (distance) P-C4' energy: -144.154
flat angles C4'-P-C4' energy: -150.333
flat angles P-C4'-P energy: -85.068
tors. eta vs tors. theta energy: -182.454
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: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2025.156840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.156840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.287222 (E_RNA)
where:
Base-Base interactions energy: -1387.601
where: short stacking energy: -561.002
Base-Backbone interact. energy: -3.235
local terms energy: -636.451012
where:
bonds (distance) C4'-P energy: -146.744
bonds (distance) P-C4' energy: -141.309
flat angles C4'-P-C4' energy: -124.335
flat angles P-C4'-P energy: -92.294
tors. eta vs tors. theta energy: -131.769
Dist. restrs. and SS energy: 2.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1976.737890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.737890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.447838 (E_RNA)
where:
Base-Base interactions energy: -1338.488
where: short stacking energy: -564.021
Base-Backbone interact. energy: 1.199
local terms energy: -642.158651
where:
bonds (distance) C4'-P energy: -126.843
bonds (distance) P-C4' energy: -137.563
flat angles C4'-P-C4' energy: -147.069
flat angles P-C4'-P energy: -91.636
tors. eta vs tors. theta energy: -139.048
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: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1823.916805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.916805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.599381 (E_RNA)
where:
Base-Base interactions energy: -1258.764
where: short stacking energy: -510.320
Base-Backbone interact. energy: -1.152
local terms energy: -566.683440
where:
bonds (distance) C4'-P energy: -127.702
bonds (distance) P-C4' energy: -119.322
flat angles C4'-P-C4' energy: -129.149
flat angles P-C4'-P energy: -72.572
tors. eta vs tors. theta energy: -117.939
Dist. restrs. and SS energy: 2.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2920.810822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.810822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.149433 (E_RNA)
where:
Base-Base interactions energy: -2031.882
where: short stacking energy: -834.271
Base-Backbone interact. energy: -4.286
local terms energy: -886.981925
where:
bonds (distance) C4'-P energy: -160.452
bonds (distance) P-C4' energy: -159.817
flat angles C4'-P-C4' energy: -194.206
flat angles P-C4'-P energy: -127.357
tors. eta vs tors. theta energy: -245.151
Dist. restrs. and SS energy: 2.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2845.528270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.528270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.515666 (E_RNA)
where:
Base-Base interactions energy: -1989.395
where: short stacking energy: -817.497
Base-Backbone interact. energy: -5.481
local terms energy: -851.639612
where:
bonds (distance) C4'-P energy: -156.324
bonds (distance) P-C4' energy: -158.299
flat angles C4'-P-C4' energy: -183.266
flat angles P-C4'-P energy: -109.842
tors. eta vs tors. theta energy: -243.910
Dist. restrs. and SS energy: 0.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2658.005308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.005308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.911219 (E_RNA)
where:
Base-Base interactions energy: -1848.126
where: short stacking energy: -773.955
Base-Backbone interact. energy: -3.020
local terms energy: -808.765708
where:
bonds (distance) C4'-P energy: -160.101
bonds (distance) P-C4' energy: -141.796
flat angles C4'-P-C4' energy: -180.284
flat angles P-C4'-P energy: -115.510
tors. eta vs tors. theta energy: -211.075
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2518.254753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.254753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.363162 (E_RNA)
where:
Base-Base interactions energy: -1727.438
where: short stacking energy: -709.892
Base-Backbone interact. energy: -2.975
local terms energy: -789.950082
where:
bonds (distance) C4'-P energy: -132.357
bonds (distance) P-C4' energy: -150.704
flat angles C4'-P-C4' energy: -183.900
flat angles P-C4'-P energy: -116.081
tors. eta vs tors. theta energy: -206.908
Dist. restrs. and SS energy: 2.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2383.202274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.202274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.750320 (E_RNA)
where:
Base-Base interactions energy: -1647.438
where: short stacking energy: -690.824
Base-Backbone interact. energy: 4.369
local terms energy: -741.681340
where:
bonds (distance) C4'-P energy: -126.881
bonds (distance) P-C4' energy: -133.741
flat angles C4'-P-C4' energy: -169.111
flat angles P-C4'-P energy: -104.480
tors. eta vs tors. theta energy: -207.468
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: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2251.186464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.186464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.595614 (E_RNA)
where:
Base-Base interactions energy: -1526.492
where: short stacking energy: -649.134
Base-Backbone interact. energy: 1.971
local terms energy: -728.073646
where:
bonds (distance) C4'-P energy: -122.170
bonds (distance) P-C4' energy: -133.985
flat angles C4'-P-C4' energy: -166.398
flat angles P-C4'-P energy: -121.756
tors. eta vs tors. theta energy: -183.765
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: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2073.925737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.450700 (E_RNA)
where:
Base-Base interactions energy: -1402.565
where: short stacking energy: -605.027
Base-Backbone interact. energy: -0.140
local terms energy: -675.745566
where:
bonds (distance) C4'-P energy: -120.583
bonds (distance) P-C4' energy: -139.723
flat angles C4'-P-C4' energy: -156.076
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -161.799
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: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2000.780158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.780158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.479618 (E_RNA)
where:
Base-Base interactions energy: -1356.662
where: short stacking energy: -582.343
Base-Backbone interact. energy: 4.904
local terms energy: -651.721515
where:
bonds (distance) C4'-P energy: -115.351
bonds (distance) P-C4' energy: -133.250
flat angles C4'-P-C4' energy: -153.377
flat angles P-C4'-P energy: -93.078
tors. eta vs tors. theta energy: -156.665
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1960.231475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.231475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.864599 (E_RNA)
where:
Base-Base interactions energy: -1322.567
where: short stacking energy: -551.004
Base-Backbone interact. energy: 7.361
local terms energy: -647.658630
where:
bonds (distance) C4'-P energy: -133.527
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -141.701
flat angles P-C4'-P energy: -91.546
tors. eta vs tors. theta energy: -149.127
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: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1847.695461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.695461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.364392 (E_RNA)
where:
Base-Base interactions energy: -1288.529
where: short stacking energy: -541.772
Base-Backbone interact. energy: -2.229
local terms energy: -560.606256
where:
bonds (distance) C4'-P energy: -103.298
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -141.342
flat angles P-C4'-P energy: -80.325
tors. eta vs tors. theta energy: -128.679
Dist. restrs. and SS energy: 3.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2919.009023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.009023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.040154 (E_RNA)
where:
Base-Base interactions energy: -2036.820
where: short stacking energy: -826.090
Base-Backbone interact. energy: -4.292
local terms energy: -879.928249
where:
bonds (distance) C4'-P energy: -174.402
bonds (distance) P-C4' energy: -159.499
flat angles C4'-P-C4' energy: -177.993
flat angles P-C4'-P energy: -125.969
tors. eta vs tors. theta energy: -242.065
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: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2857.142088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.142088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.988494 (E_RNA)
where:
Base-Base interactions energy: -1988.358
where: short stacking energy: -822.742
Base-Backbone interact. energy: -5.376
local terms energy: -864.253901
where:
bonds (distance) C4'-P energy: -161.826
bonds (distance) P-C4' energy: -168.901
flat angles C4'-P-C4' energy: -169.200
flat angles P-C4'-P energy: -114.305
tors. eta vs tors. theta energy: -250.022
Dist. restrs. and SS energy: 0.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2643.068077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.068077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.701579 (E_RNA)
where:
Base-Base interactions energy: -1809.727
where: short stacking energy: -764.545
Base-Backbone interact. energy: -3.182
local terms energy: -831.792554
where:
bonds (distance) C4'-P energy: -142.717
bonds (distance) P-C4' energy: -158.226
flat angles C4'-P-C4' energy: -182.716
flat angles P-C4'-P energy: -111.633
tors. eta vs tors. theta energy: -236.500
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2495.248809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.248809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.035932 (E_RNA)
where:
Base-Base interactions energy: -1702.942
where: short stacking energy: -731.833
Base-Backbone interact. energy: 4.350
local terms energy: -798.443983
where:
bonds (distance) C4'-P energy: -147.772
bonds (distance) P-C4' energy: -143.726
flat angles C4'-P-C4' energy: -171.442
flat angles P-C4'-P energy: -119.543
tors. eta vs tors. theta energy: -215.961
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2424.484073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.484073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.577391 (E_RNA)
where:
Base-Base interactions energy: -1673.475
where: short stacking energy: -717.267
Base-Backbone interact. energy: 0.746
local terms energy: -753.848696
where:
bonds (distance) C4'-P energy: -144.678
bonds (distance) P-C4' energy: -139.333
flat angles C4'-P-C4' energy: -162.394
flat angles P-C4'-P energy: -105.534
tors. eta vs tors. theta energy: -201.908
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2229.379233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.379233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.503188 (E_RNA)
where:
Base-Base interactions energy: -1521.601
where: short stacking energy: -646.100
Base-Backbone interact. energy: -2.442
local terms energy: -707.460910
where:
bonds (distance) C4'-P energy: -135.857
bonds (distance) P-C4' energy: -150.651
flat angles C4'-P-C4' energy: -152.162
flat angles P-C4'-P energy: -98.627
tors. eta vs tors. theta energy: -170.164
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2056.846491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.846491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.817441 (E_RNA)
where:
Base-Base interactions energy: -1388.181
where: short stacking energy: -606.320
Base-Backbone interact. energy: 2.265
local terms energy: -673.900557
where:
bonds (distance) C4'-P energy: -139.519
bonds (distance) P-C4' energy: -125.671
flat angles C4'-P-C4' energy: -151.158
flat angles P-C4'-P energy: -104.842
tors. eta vs tors. theta energy: -152.709
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2039.460025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.460025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.060965 (E_RNA)
where:
Base-Base interactions energy: -1367.835
where: short stacking energy: -603.229
Base-Backbone interact. energy: 1.029
local terms energy: -675.255189
where:
bonds (distance) C4'-P energy: -118.779
bonds (distance) P-C4' energy: -131.529
flat angles C4'-P-C4' energy: -159.898
flat angles P-C4'-P energy: -95.138
tors. eta vs tors. theta energy: -169.912
Dist. restrs. and SS energy: 2.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1979.995763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.995763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.305970 (E_RNA)
where:
Base-Base interactions energy: -1351.280
where: short stacking energy: -525.646
Base-Backbone interact. energy: -0.634
local terms energy: -630.391429
where:
bonds (distance) C4'-P energy: -116.111
bonds (distance) P-C4' energy: -131.489
flat angles C4'-P-C4' energy: -160.861
flat angles P-C4'-P energy: -82.350
tors. eta vs tors. theta energy: -139.581
Dist. restrs. and SS energy: 2.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1792.973513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.973513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.857301 (E_RNA)
where:
Base-Base interactions energy: -1220.644
where: short stacking energy: -522.279
Base-Backbone interact. energy: -2.038
local terms energy: -579.175778
where:
bonds (distance) C4'-P energy: -111.195
bonds (distance) P-C4' energy: -127.386
flat angles C4'-P-C4' energy: -140.732
flat angles P-C4'-P energy: -76.918
tors. eta vs tors. theta energy: -122.944
Dist. restrs. and SS energy: 8.884 (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: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2909.967597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.967597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.905116 (E_RNA)
where:
Base-Base interactions energy: -2021.683
where: short stacking energy: -812.301
Base-Backbone interact. energy: -1.132
local terms energy: -890.090056
where:
bonds (distance) C4'-P energy: -182.851
bonds (distance) P-C4' energy: -165.463
flat angles C4'-P-C4' energy: -177.842
flat angles P-C4'-P energy: -129.504
tors. eta vs tors. theta energy: -234.430
Dist. restrs. and SS energy: 2.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2854.143633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.143633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.976101 (E_RNA)
where:
Base-Base interactions energy: -1997.032
where: short stacking energy: -823.710
Base-Backbone interact. energy: -3.544
local terms energy: -854.400991
where:
bonds (distance) C4'-P energy: -148.117
bonds (distance) P-C4' energy: -160.858
flat angles C4'-P-C4' energy: -172.384
flat angles P-C4'-P energy: -130.476
tors. eta vs tors. theta energy: -242.566
Dist. restrs. and SS energy: 0.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2705.582318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.582318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.443326 (E_RNA)
where:
Base-Base interactions energy: -1864.264
where: short stacking energy: -783.910
Base-Backbone interact. energy: 0.800
local terms energy: -843.979730
where:
bonds (distance) C4'-P energy: -154.334
bonds (distance) P-C4' energy: -157.735
flat angles C4'-P-C4' energy: -186.669
flat angles P-C4'-P energy: -108.429
tors. eta vs tors. theta energy: -236.812
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2553.645878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.645878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.122734 (E_RNA)
where:
Base-Base interactions energy: -1739.040
where: short stacking energy: -751.017
Base-Backbone interact. energy: -2.224
local terms energy: -813.858483
where:
bonds (distance) C4'-P energy: -153.480
bonds (distance) P-C4' energy: -166.064
flat angles C4'-P-C4' energy: -175.127
flat angles P-C4'-P energy: -110.101
tors. eta vs tors. theta energy: -209.086
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: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2391.471528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.471528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.875810 (E_RNA)
where:
Base-Base interactions energy: -1654.772
where: short stacking energy: -719.785
Base-Backbone interact. energy: 1.847
local terms energy: -740.950441
where:
bonds (distance) C4'-P energy: -131.331
bonds (distance) P-C4' energy: -158.097
flat angles C4'-P-C4' energy: -159.611
flat angles P-C4'-P energy: -92.787
tors. eta vs tors. theta energy: -199.124
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: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2301.341709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.341709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.190268 (E_RNA)
where:
Base-Base interactions energy: -1572.151
where: short stacking energy: -655.718
Base-Backbone interact. energy: -0.186
local terms energy: -730.853107
where:
bonds (distance) C4'-P energy: -131.145
bonds (distance) P-C4' energy: -135.740
flat angles C4'-P-C4' energy: -172.362
flat angles P-C4'-P energy: -100.683
tors. eta vs tors. theta energy: -190.923
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2074.147284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.147284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.880186 (E_RNA)
where:
Base-Base interactions energy: -1373.772
where: short stacking energy: -615.648
Base-Backbone interact. energy: 1.374
local terms energy: -703.482005
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -156.348
flat angles P-C4'-P energy: -99.674
tors. eta vs tors. theta energy: -174.582
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1999.960037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.960037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.854223 (E_RNA)
where:
Base-Base interactions energy: -1335.379
where: short stacking energy: -557.614
Base-Backbone interact. energy: 2.336
local terms energy: -669.810938
where:
bonds (distance) C4'-P energy: -136.874
bonds (distance) P-C4' energy: -135.353
flat angles C4'-P-C4' energy: -155.454
flat angles P-C4'-P energy: -105.244
tors. eta vs tors. theta energy: -136.886
Dist. restrs. and SS energy: 2.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -2034.073101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.073101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.408533 (E_RNA)
where:
Base-Base interactions energy: -1411.711
where: short stacking energy: -599.958
Base-Backbone interact. energy: -1.616
local terms energy: -623.081131
where:
bonds (distance) C4'-P energy: -121.276
bonds (distance) P-C4' energy: -124.634
flat angles C4'-P-C4' energy: -130.374
flat angles P-C4'-P energy: -104.118
tors. eta vs tors. theta energy: -142.680
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1791.672347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.672347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.010699 (E_RNA)
where:
Base-Base interactions energy: -1254.930
where: short stacking energy: -528.250
Base-Backbone interact. energy: 2.814
local terms energy: -545.894704
where:
bonds (distance) C4'-P energy: -86.636
bonds (distance) P-C4' energy: -106.784
flat angles C4'-P-C4' energy: -137.173
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -121.638
Dist. restrs. and SS energy: 6.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2889.302844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.302844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.331870 (E_RNA)
where:
Base-Base interactions energy: -2003.858
where: short stacking energy: -815.997
Base-Backbone interact. energy: -0.794
local terms energy: -888.679711
where:
bonds (distance) C4'-P energy: -166.907
bonds (distance) P-C4' energy: -172.879
flat angles C4'-P-C4' energy: -184.709
flat angles P-C4'-P energy: -109.976
tors. eta vs tors. theta energy: -254.209
Dist. restrs. and SS energy: 4.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2832.259968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.259968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.746456 (E_RNA)
where:
Base-Base interactions energy: -1972.178
where: short stacking energy: -822.463
Base-Backbone interact. energy: -5.016
local terms energy: -856.553067
where:
bonds (distance) C4'-P energy: -164.600
bonds (distance) P-C4' energy: -163.483
flat angles C4'-P-C4' energy: -174.049
flat angles P-C4'-P energy: -122.541
tors. eta vs tors. theta energy: -231.880
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: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2674.936191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.936191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.540053 (E_RNA)
where:
Base-Base interactions energy: -1826.477
where: short stacking energy: -764.314
Base-Backbone interact. energy: -5.456
local terms energy: -845.606701
where:
bonds (distance) C4'-P energy: -150.471
bonds (distance) P-C4' energy: -168.300
flat angles C4'-P-C4' energy: -183.884
flat angles P-C4'-P energy: -107.331
tors. eta vs tors. theta energy: -235.620
Dist. restrs. and SS energy: 2.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2567.175757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.175757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.452657 (E_RNA)
where:
Base-Base interactions energy: -1724.618
where: short stacking energy: -729.207
Base-Backbone interact. energy: -1.111
local terms energy: -844.723142
where:
bonds (distance) C4'-P energy: -172.205
bonds (distance) P-C4' energy: -149.497
flat angles C4'-P-C4' energy: -180.016
flat angles P-C4'-P energy: -118.540
tors. eta vs tors. theta energy: -224.465
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: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2392.786170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.786170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.522351 (E_RNA)
where:
Base-Base interactions energy: -1627.719
where: short stacking energy: -692.484
Base-Backbone interact. energy: -0.897
local terms energy: -765.906519
where:
bonds (distance) C4'-P energy: -156.309
bonds (distance) P-C4' energy: -141.788
flat angles C4'-P-C4' energy: -174.488
flat angles P-C4'-P energy: -96.909
tors. eta vs tors. theta energy: -196.412
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: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2256.094619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.094619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.247531 (E_RNA)
where:
Base-Base interactions energy: -1531.795
where: short stacking energy: -647.064
Base-Backbone interact. energy: -4.353
local terms energy: -723.098853
where:
bonds (distance) C4'-P energy: -117.854
bonds (distance) P-C4' energy: -139.935
flat angles C4'-P-C4' energy: -167.253
flat angles P-C4'-P energy: -123.677
tors. eta vs tors. theta energy: -174.380
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: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2068.603374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.603374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.094715 (E_RNA)
where:
Base-Base interactions energy: -1408.691
where: short stacking energy: -594.357
Base-Backbone interact. energy: -1.260
local terms energy: -661.143222
where:
bonds (distance) C4'-P energy: -115.322
bonds (distance) P-C4' energy: -152.524
flat angles C4'-P-C4' energy: -149.690
flat angles P-C4'-P energy: -99.149
tors. eta vs tors. theta energy: -144.459
Dist. restrs. and SS energy: 2.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1982.290824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.290824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.010343 (E_RNA)
where:
Base-Base interactions energy: -1375.867
where: short stacking energy: -568.284
Base-Backbone interact. energy: 1.686
local terms energy: -613.828604
where:
bonds (distance) C4'-P energy: -117.647
bonds (distance) P-C4' energy: -134.934
flat angles C4'-P-C4' energy: -131.084
flat angles P-C4'-P energy: -94.697
tors. eta vs tors. theta energy: -135.467
Dist. restrs. and SS energy: 5.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1959.691781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.691781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.659150 (E_RNA)
where:
Base-Base interactions energy: -1332.768
where: short stacking energy: -563.318
Base-Backbone interact. energy: 8.601
local terms energy: -639.492672
where:
bonds (distance) C4'-P energy: -126.600
bonds (distance) P-C4' energy: -124.503
flat angles C4'-P-C4' energy: -150.775
flat angles P-C4'-P energy: -96.520
tors. eta vs tors. theta energy: -141.095
Dist. restrs. and SS energy: 3.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1886.756386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.756386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.938317 (E_RNA)
where:
Base-Base interactions energy: -1300.954
where: short stacking energy: -523.254
Base-Backbone interact. energy: -1.947
local terms energy: -586.036595
where:
bonds (distance) C4'-P energy: -126.331
bonds (distance) P-C4' energy: -121.649
flat angles C4'-P-C4' energy: -123.700
flat angles P-C4'-P energy: -81.171
tors. eta vs tors. theta energy: -133.186
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2909.643642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.643642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.376226 (E_RNA)
where:
Base-Base interactions energy: -2022.672
where: short stacking energy: -845.070
Base-Backbone interact. energy: -4.204
local terms energy: -884.500263
where:
bonds (distance) C4'-P energy: -164.439
bonds (distance) P-C4' energy: -165.237
flat angles C4'-P-C4' energy: -182.566
flat angles P-C4'-P energy: -126.693
tors. eta vs tors. theta energy: -245.566
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2846.894425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.894425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.896803 (E_RNA)
where:
Base-Base interactions energy: -2012.000
where: short stacking energy: -815.085
Base-Backbone interact. energy: -2.122
local terms energy: -834.774784
where:
bonds (distance) C4'-P energy: -144.366
bonds (distance) P-C4' energy: -165.842
flat angles C4'-P-C4' energy: -172.196
flat angles P-C4'-P energy: -117.142
tors. eta vs tors. theta energy: -235.229
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2685.941672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.941672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.496041 (E_RNA)
where:
Base-Base interactions energy: -1851.575
where: short stacking energy: -776.802
Base-Backbone interact. energy: 2.647
local terms energy: -839.567870
where:
bonds (distance) C4'-P energy: -152.941
bonds (distance) P-C4' energy: -163.669
flat angles C4'-P-C4' energy: -171.531
flat angles P-C4'-P energy: -119.557
tors. eta vs tors. theta energy: -231.869
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2544.422476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.422476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.404261 (E_RNA)
where:
Base-Base interactions energy: -1733.745
where: short stacking energy: -732.757
Base-Backbone interact. energy: -1.439
local terms energy: -810.220742
where:
bonds (distance) C4'-P energy: -142.260
bonds (distance) P-C4' energy: -159.963
flat angles C4'-P-C4' energy: -173.346
flat angles P-C4'-P energy: -111.874
tors. eta vs tors. theta energy: -222.778
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2482.060318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.060318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.287990 (E_RNA)
where:
Base-Base interactions energy: -1710.445
where: short stacking energy: -731.149
Base-Backbone interact. energy: -0.408
local terms energy: -773.435114
where:
bonds (distance) C4'-P energy: -134.875
bonds (distance) P-C4' energy: -164.348
flat angles C4'-P-C4' energy: -161.759
flat angles P-C4'-P energy: -106.104
tors. eta vs tors. theta energy: -206.349
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: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2313.022098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.022098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.063736 (E_RNA)
where:
Base-Base interactions energy: -1576.752
where: short stacking energy: -680.513
Base-Backbone interact. energy: 3.453
local terms energy: -743.764844
where:
bonds (distance) C4'-P energy: -137.878
bonds (distance) P-C4' energy: -149.113
flat angles C4'-P-C4' energy: -166.745
flat angles P-C4'-P energy: -98.953
tors. eta vs tors. theta energy: -191.077
Dist. restrs. and SS energy: 4.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2060.781199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.781199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.540769 (E_RNA)
where:
Base-Base interactions energy: -1394.142
where: short stacking energy: -567.130
Base-Backbone interact. energy: 1.475
local terms energy: -671.873009
where:
bonds (distance) C4'-P energy: -149.400
bonds (distance) P-C4' energy: -142.163
flat angles C4'-P-C4' energy: -143.778
flat angles P-C4'-P energy: -86.006
tors. eta vs tors. theta energy: -150.525
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: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1997.915648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.915648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.277252 (E_RNA)
where:
Base-Base interactions energy: -1343.542
where: short stacking energy: -537.866
Base-Backbone interact. energy: -7.003
local terms energy: -651.732232
where:
bonds (distance) C4'-P energy: -118.334
bonds (distance) P-C4' energy: -136.067
flat angles C4'-P-C4' energy: -164.701
flat angles P-C4'-P energy: -93.063
tors. eta vs tors. theta energy: -139.567
Dist. restrs. and SS energy: 4.362 (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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1965.191960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.191960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.320827 (E_RNA)
where:
Base-Base interactions energy: -1334.879
where: short stacking energy: -545.457
Base-Backbone interact. energy: 2.229
local terms energy: -635.670574
where:
bonds (distance) C4'-P energy: -129.572
bonds (distance) P-C4' energy: -145.035
flat angles C4'-P-C4' energy: -132.791
flat angles P-C4'-P energy: -81.829
tors. eta vs tors. theta energy: -146.444
Dist. restrs. and SS energy: 3.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1907.558799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.558799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.543476 (E_RNA)
where:
Base-Base interactions energy: -1320.472
where: short stacking energy: -548.789
Base-Backbone interact. energy: 1.585
local terms energy: -591.656629
where:
bonds (distance) C4'-P energy: -140.016
bonds (distance) P-C4' energy: -116.357
flat angles C4'-P-C4' energy: -118.302
flat angles P-C4'-P energy: -74.451
tors. eta vs tors. theta energy: -142.531
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2906.823390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.823390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.459633 (E_RNA)
where:
Base-Base interactions energy: -2036.826
where: short stacking energy: -830.735
Base-Backbone interact. energy: -3.940
local terms energy: -868.693453
where:
bonds (distance) C4'-P energy: -153.582
bonds (distance) P-C4' energy: -167.802
flat angles C4'-P-C4' energy: -185.585
flat angles P-C4'-P energy: -120.507
tors. eta vs tors. theta energy: -241.217
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2851.215308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.215308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.366508 (E_RNA)
where:
Base-Base interactions energy: -1999.094
where: short stacking energy: -834.137
Base-Backbone interact. energy: -0.725
local terms energy: -853.547054
where:
bonds (distance) C4'-P energy: -152.155
bonds (distance) P-C4' energy: -164.823
flat angles C4'-P-C4' energy: -170.492
flat angles P-C4'-P energy: -134.378
tors. eta vs tors. theta energy: -231.699
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2682.965619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.965619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.937624 (E_RNA)
where:
Base-Base interactions energy: -1846.219
where: short stacking energy: -784.604
Base-Backbone interact. energy: 2.536
local terms energy: -841.255068
where:
bonds (distance) C4'-P energy: -148.807
bonds (distance) P-C4' energy: -158.827
flat angles C4'-P-C4' energy: -187.031
flat angles P-C4'-P energy: -111.741
tors. eta vs tors. theta energy: -234.849
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: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2537.530076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.530076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.421097 (E_RNA)
where:
Base-Base interactions energy: -1740.284
where: short stacking energy: -752.515
Base-Backbone interact. energy: -2.378
local terms energy: -796.759440
where:
bonds (distance) C4'-P energy: -153.806
bonds (distance) P-C4' energy: -152.006
flat angles C4'-P-C4' energy: -162.627
flat angles P-C4'-P energy: -110.256
tors. eta vs tors. theta energy: -218.064
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2494.397544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.397544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.305921 (E_RNA)
where:
Base-Base interactions energy: -1740.361
where: short stacking energy: -745.589
Base-Backbone interact. energy: -1.880
local terms energy: -754.065603
where:
bonds (distance) C4'-P energy: -133.366
bonds (distance) P-C4' energy: -133.843
flat angles C4'-P-C4' energy: -170.719
flat angles P-C4'-P energy: -95.221
tors. eta vs tors. theta energy: -220.917
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: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2290.330156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.330156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.351929 (E_RNA)
where:
Base-Base interactions energy: -1551.617
where: short stacking energy: -667.558
Base-Backbone interact. energy: -1.109
local terms energy: -740.626381
where:
bonds (distance) C4'-P energy: -140.707
bonds (distance) P-C4' energy: -137.335
flat angles C4'-P-C4' energy: -159.888
flat angles P-C4'-P energy: -109.636
tors. eta vs tors. theta energy: -193.061
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2100.872846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.872846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.564720 (E_RNA)
where:
Base-Base interactions energy: -1411.534
where: short stacking energy: -614.793
Base-Backbone interact. energy: -3.168
local terms energy: -689.862956
where:
bonds (distance) C4'-P energy: -129.572
bonds (distance) P-C4' energy: -134.769
flat angles C4'-P-C4' energy: -156.510
flat angles P-C4'-P energy: -107.874
tors. eta vs tors. theta energy: -161.138
Dist. restrs. and SS energy: 3.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2046.213740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.213740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.563694 (E_RNA)
where:
Base-Base interactions energy: -1392.581
where: short stacking energy: -604.575
Base-Backbone interact. energy: -5.214
local terms energy: -650.768618
where:
bonds (distance) C4'-P energy: -113.660
bonds (distance) P-C4' energy: -132.198
flat angles C4'-P-C4' energy: -147.831
flat angles P-C4'-P energy: -106.805
tors. eta vs tors. theta energy: -150.275
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1971.042403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.042403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.891183 (E_RNA)
where:
Base-Base interactions energy: -1331.983
where: short stacking energy: -568.253
Base-Backbone interact. energy: -1.296
local terms energy: -639.612278
where:
bonds (distance) C4'-P energy: -132.741
bonds (distance) P-C4' energy: -133.119
flat angles C4'-P-C4' energy: -137.601
flat angles P-C4'-P energy: -80.281
tors. eta vs tors. theta energy: -155.870
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: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1917.704917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.704917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.809697 (E_RNA)
where:
Base-Base interactions energy: -1284.788
where: short stacking energy: -514.802
Base-Backbone interact. energy: -3.436
local terms energy: -631.586085
where:
bonds (distance) C4'-P energy: -133.172
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -135.976
flat angles P-C4'-P energy: -76.914
tors. eta vs tors. theta energy: -136.039
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: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2868.637717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.637717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.788815 (E_RNA)
where:
Base-Base interactions energy: -1974.134
where: short stacking energy: -824.822
Base-Backbone interact. energy: -3.736
local terms energy: -892.918722
where:
bonds (distance) C4'-P energy: -151.387
bonds (distance) P-C4' energy: -182.829
flat angles C4'-P-C4' energy: -186.981
flat angles P-C4'-P energy: -126.549
tors. eta vs tors. theta energy: -245.173
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2827.531295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.531295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.313242 (E_RNA)
where:
Base-Base interactions energy: -1974.035
where: short stacking energy: -802.957
Base-Backbone interact. energy: -6.057
local terms energy: -849.221144
where:
bonds (distance) C4'-P energy: -147.638
bonds (distance) P-C4' energy: -156.349
flat angles C4'-P-C4' energy: -189.818
flat angles P-C4'-P energy: -122.283
tors. eta vs tors. theta energy: -233.134
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2674.195610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.195610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.863357 (E_RNA)
where:
Base-Base interactions energy: -1839.484
where: short stacking energy: -762.298
Base-Backbone interact. energy: -1.125
local terms energy: -836.253690
where:
bonds (distance) C4'-P energy: -152.132
bonds (distance) P-C4' energy: -146.810
flat angles C4'-P-C4' energy: -177.358
flat angles P-C4'-P energy: -118.631
tors. eta vs tors. theta energy: -241.323
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: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2590.804333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.804333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.358815 (E_RNA)
where:
Base-Base interactions energy: -1779.691
where: short stacking energy: -767.108
Base-Backbone interact. energy: -3.136
local terms energy: -809.532072
where:
bonds (distance) C4'-P energy: -127.144
bonds (distance) P-C4' energy: -157.147
flat angles C4'-P-C4' energy: -183.101
flat angles P-C4'-P energy: -112.708
tors. eta vs tors. theta energy: -229.433
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2437.584369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.584369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.224339 (E_RNA)
where:
Base-Base interactions energy: -1683.837
where: short stacking energy: -731.468
Base-Backbone interact. energy: -2.459
local terms energy: -753.928409
where:
bonds (distance) C4'-P energy: -136.877
bonds (distance) P-C4' energy: -138.373
flat angles C4'-P-C4' energy: -162.101
flat angles P-C4'-P energy: -112.876
tors. eta vs tors. theta energy: -203.701
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2282.065324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.065324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.961630 (E_RNA)
where:
Base-Base interactions energy: -1540.669
where: short stacking energy: -664.754
Base-Backbone interact. energy: -1.963
local terms energy: -743.328953
where:
bonds (distance) C4'-P energy: -150.370
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -165.113
flat angles P-C4'-P energy: -101.657
tors. eta vs tors. theta energy: -196.057
Dist. restrs. and SS energy: 3.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2083.961188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.961188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.550436 (E_RNA)
where:
Base-Base interactions energy: -1405.637
where: short stacking energy: -609.807
Base-Backbone interact. energy: -0.586
local terms energy: -681.327861
where:
bonds (distance) C4'-P energy: -118.682
bonds (distance) P-C4' energy: -138.106
flat angles C4'-P-C4' energy: -150.770
flat angles P-C4'-P energy: -97.529
tors. eta vs tors. theta energy: -176.240
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: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2015.609122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.609122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.383849 (E_RNA)
where:
Base-Base interactions energy: -1364.394
where: short stacking energy: -573.613
Base-Backbone interact. energy: 3.011
local terms energy: -656.000792
where:
bonds (distance) C4'-P energy: -144.215
bonds (distance) P-C4' energy: -131.322
flat angles C4'-P-C4' energy: -143.588
flat angles P-C4'-P energy: -84.409
tors. eta vs tors. theta energy: -152.467
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1905.760941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.760941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.202990 (E_RNA)
where:
Base-Base interactions energy: -1308.738
where: short stacking energy: -524.987
Base-Backbone interact. energy: -2.949
local terms energy: -602.516080
where:
bonds (distance) C4'-P energy: -136.734
bonds (distance) P-C4' energy: -124.964
flat angles C4'-P-C4' energy: -127.300
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -132.425
Dist. restrs. and SS energy: 8.442 (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: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1856.811848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.811848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.488469 (E_RNA)
where:
Base-Base interactions energy: -1280.254
where: short stacking energy: -527.148
Base-Backbone interact. energy: 2.178
local terms energy: -581.412815
where:
bonds (distance) C4'-P energy: -132.573
bonds (distance) P-C4' energy: -112.416
flat angles C4'-P-C4' energy: -132.282
flat angles P-C4'-P energy: -73.332
tors. eta vs tors. theta energy: -130.810
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: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2906.095403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.095403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.505494 (E_RNA)
where:
Base-Base interactions energy: -2036.821
where: short stacking energy: -831.890
Base-Backbone interact. energy: -4.680
local terms energy: -867.004193
where:
bonds (distance) C4'-P energy: -146.009
bonds (distance) P-C4' energy: -163.979
flat angles C4'-P-C4' energy: -192.273
flat angles P-C4'-P energy: -122.405
tors. eta vs tors. theta energy: -242.338
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: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2831.965416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.965416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.223841 (E_RNA)
where:
Base-Base interactions energy: -1954.487
where: short stacking energy: -781.713
Base-Backbone interact. energy: -2.844
local terms energy: -877.892911
where:
bonds (distance) C4'-P energy: -148.358
bonds (distance) P-C4' energy: -161.412
flat angles C4'-P-C4' energy: -190.151
flat angles P-C4'-P energy: -140.830
tors. eta vs tors. theta energy: -237.142
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: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2623.556583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.556583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.538682 (E_RNA)
where:
Base-Base interactions energy: -1783.413
where: short stacking energy: -785.442
Base-Backbone interact. energy: -2.504
local terms energy: -838.621408
where:
bonds (distance) C4'-P energy: -152.585
bonds (distance) P-C4' energy: -147.588
flat angles C4'-P-C4' energy: -183.140
flat angles P-C4'-P energy: -125.834
tors. eta vs tors. theta energy: -229.474
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2642.227849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.227849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.384003 (E_RNA)
where:
Base-Base interactions energy: -1794.720
where: short stacking energy: -779.022
Base-Backbone interact. energy: -1.462
local terms energy: -847.202646
where:
bonds (distance) C4'-P energy: -154.733
bonds (distance) P-C4' energy: -161.683
flat angles C4'-P-C4' energy: -179.255
flat angles P-C4'-P energy: -119.094
tors. eta vs tors. theta energy: -232.439
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2342.698531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.698531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.911015 (E_RNA)
where:
Base-Base interactions energy: -1585.822
where: short stacking energy: -661.490
Base-Backbone interact. energy: -2.977
local terms energy: -755.112171
where:
bonds (distance) C4'-P energy: -150.358
bonds (distance) P-C4' energy: -138.013
flat angles C4'-P-C4' energy: -165.599
flat angles P-C4'-P energy: -121.030
tors. eta vs tors. theta energy: -180.112
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: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2314.607572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.607572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.470347 (E_RNA)
where:
Base-Base interactions energy: -1596.454
where: short stacking energy: -647.376
Base-Backbone interact. energy: 3.402
local terms energy: -725.418189
where:
bonds (distance) C4'-P energy: -130.346
bonds (distance) P-C4' energy: -149.449
flat angles C4'-P-C4' energy: -177.809
flat angles P-C4'-P energy: -86.707
tors. eta vs tors. theta energy: -181.107
Dist. restrs. and SS energy: 3.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2153.841139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.841139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.895361 (E_RNA)
where:
Base-Base interactions energy: -1447.788
where: short stacking energy: -598.989
Base-Backbone interact. energy: -1.813
local terms energy: -705.294658
where:
bonds (distance) C4'-P energy: -150.953
bonds (distance) P-C4' energy: -130.128
flat angles C4'-P-C4' energy: -146.009
flat angles P-C4'-P energy: -98.037
tors. eta vs tors. theta energy: -180.169
Dist. restrs. and SS energy: 1.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2040.308500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.308500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.191918 (E_RNA)
where:
Base-Base interactions energy: -1413.189
where: short stacking energy: -592.636
Base-Backbone interact. energy: -1.990
local terms energy: -627.013185
where:
bonds (distance) C4'-P energy: -108.381
bonds (distance) P-C4' energy: -117.455
flat angles C4'-P-C4' energy: -145.381
flat angles P-C4'-P energy: -101.556
tors. eta vs tors. theta energy: -154.240
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: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1931.498164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.498164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.323219 (E_RNA)
where:
Base-Base interactions energy: -1302.668
where: short stacking energy: -551.142
Base-Backbone interact. energy: 2.387
local terms energy: -633.042272
where:
bonds (distance) C4'-P energy: -132.970
bonds (distance) P-C4' energy: -128.356
flat angles C4'-P-C4' energy: -141.071
flat angles P-C4'-P energy: -80.122
tors. eta vs tors. theta energy: -150.523
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1862.888479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.888479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.753626 (E_RNA)
where:
Base-Base interactions energy: -1279.245
where: short stacking energy: -515.059
Base-Backbone interact. energy: 4.409
local terms energy: -591.916839
where:
bonds (distance) C4'-P energy: -104.051
bonds (distance) P-C4' energy: -133.732
flat angles C4'-P-C4' energy: -145.107
flat angles P-C4'-P energy: -83.873
tors. eta vs tors. theta energy: -125.153
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: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2923.341267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.341267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.233184 (E_RNA)
where:
Base-Base interactions energy: -2025.952
where: short stacking energy: -844.510
Base-Backbone interact. energy: -4.070
local terms energy: -895.211458
where:
bonds (distance) C4'-P energy: -163.013
bonds (distance) P-C4' energy: -166.440
flat angles C4'-P-C4' energy: -188.574
flat angles P-C4'-P energy: -125.636
tors. eta vs tors. theta energy: -251.550
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2829.664757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.664757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.539988 (E_RNA)
where:
Base-Base interactions energy: -1971.701
where: short stacking energy: -794.446
Base-Backbone interact. energy: -0.325
local terms energy: -859.514180
where:
bonds (distance) C4'-P energy: -163.658
bonds (distance) P-C4' energy: -158.392
flat angles C4'-P-C4' energy: -190.964
flat angles P-C4'-P energy: -118.390
tors. eta vs tors. theta energy: -228.109
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: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2618.259923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.259923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.065455 (E_RNA)
where:
Base-Base interactions energy: -1820.739
where: short stacking energy: -806.917
Base-Backbone interact. energy: -0.048
local terms energy: -799.278970
where:
bonds (distance) C4'-P energy: -142.638
bonds (distance) P-C4' energy: -140.883
flat angles C4'-P-C4' energy: -177.625
flat angles P-C4'-P energy: -103.591
tors. eta vs tors. theta energy: -234.541
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2624.508825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.508825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.882406 (E_RNA)
where:
Base-Base interactions energy: -1784.174
where: short stacking energy: -741.094
Base-Backbone interact. energy: -3.155
local terms energy: -838.553909
where:
bonds (distance) C4'-P energy: -166.057
bonds (distance) P-C4' energy: -165.970
flat angles C4'-P-C4' energy: -179.902
flat angles P-C4'-P energy: -109.431
tors. eta vs tors. theta energy: -217.194
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: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2348.319695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.319695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.621721 (E_RNA)
where:
Base-Base interactions energy: -1615.428
where: short stacking energy: -716.659
Base-Backbone interact. energy: -0.253
local terms energy: -733.941101
where:
bonds (distance) C4'-P energy: -128.421
bonds (distance) P-C4' energy: -163.691
flat angles C4'-P-C4' energy: -150.044
flat angles P-C4'-P energy: -92.501
tors. eta vs tors. theta energy: -199.284
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: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2333.272772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.272772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.301514 (E_RNA)
where:
Base-Base interactions energy: -1608.246
where: short stacking energy: -668.171
Base-Backbone interact. energy: -1.816
local terms energy: -725.239596
where:
bonds (distance) C4'-P energy: -149.139
bonds (distance) P-C4' energy: -152.466
flat angles C4'-P-C4' energy: -146.169
flat angles P-C4'-P energy: -105.004
tors. eta vs tors. theta energy: -172.461
Dist. restrs. and SS energy: 2.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2146.545921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.545921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.414610 (E_RNA)
where:
Base-Base interactions energy: -1475.296
where: short stacking energy: -614.174
Base-Backbone interact. energy: -1.896
local terms energy: -673.222424
where:
bonds (distance) C4'-P energy: -123.029
bonds (distance) P-C4' energy: -149.017
flat angles C4'-P-C4' energy: -158.999
flat angles P-C4'-P energy: -84.390
tors. eta vs tors. theta energy: -157.787
Dist. restrs. and SS energy: 3.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1980.400198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.400198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.352572 (E_RNA)
where:
Base-Base interactions energy: -1351.564
where: short stacking energy: -572.295
Base-Backbone interact. energy: 4.219
local terms energy: -635.007424
where:
bonds (distance) C4'-P energy: -148.193
bonds (distance) P-C4' energy: -121.329
flat angles C4'-P-C4' energy: -131.035
flat angles P-C4'-P energy: -86.030
tors. eta vs tors. theta energy: -148.420
Dist. restrs. and SS energy: 1.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1951.242969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.242969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.743692 (E_RNA)
where:
Base-Base interactions energy: -1359.254
where: short stacking energy: -552.162
Base-Backbone interact. energy: 0.063
local terms energy: -595.553127
where:
bonds (distance) C4'-P energy: -125.375
bonds (distance) P-C4' energy: -119.903
flat angles C4'-P-C4' energy: -141.266
flat angles P-C4'-P energy: -74.512
tors. eta vs tors. theta energy: -134.497
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1796.011175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.011175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.889729 (E_RNA)
where:
Base-Base interactions energy: -1271.845
where: short stacking energy: -515.028
Base-Backbone interact. energy: 8.794
local terms energy: -540.838389
where:
bonds (distance) C4'-P energy: -106.834
bonds (distance) P-C4' energy: -109.835
flat angles C4'-P-C4' energy: -132.719
flat angles P-C4'-P energy: -79.813
tors. eta vs tors. theta energy: -111.637
Dist. restrs. and SS energy: 7.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2904.732686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.732686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.160230 (E_RNA)
where:
Base-Base interactions energy: -2026.855
where: short stacking energy: -840.509
Base-Backbone interact. energy: -4.080
local terms energy: -875.225703
where:
bonds (distance) C4'-P energy: -159.736
bonds (distance) P-C4' energy: -158.261
flat angles C4'-P-C4' energy: -187.294
flat angles P-C4'-P energy: -123.152
tors. eta vs tors. theta energy: -246.782
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: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2827.727022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.727022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.504235 (E_RNA)
where:
Base-Base interactions energy: -1972.707
where: short stacking energy: -790.913
Base-Backbone interact. energy: 0.079
local terms energy: -856.876453
where:
bonds (distance) C4'-P energy: -163.553
bonds (distance) P-C4' energy: -150.117
flat angles C4'-P-C4' energy: -177.892
flat angles P-C4'-P energy: -126.459
tors. eta vs tors. theta energy: -238.855
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: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2606.961628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.961628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.500609 (E_RNA)
where:
Base-Base interactions energy: -1777.677
where: short stacking energy: -745.334
Base-Backbone interact. energy: -2.304
local terms energy: -828.519799
where:
bonds (distance) C4'-P energy: -154.293
bonds (distance) P-C4' energy: -161.620
flat angles C4'-P-C4' energy: -164.464
flat angles P-C4'-P energy: -117.839
tors. eta vs tors. theta energy: -230.305
Dist. restrs. and SS energy: 1.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2568.078961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.078961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.022614 (E_RNA)
where:
Base-Base interactions energy: -1786.482
where: short stacking energy: -733.113
Base-Backbone interact. energy: 0.156
local terms energy: -783.696769
where:
bonds (distance) C4'-P energy: -140.788
bonds (distance) P-C4' energy: -144.404
flat angles C4'-P-C4' energy: -184.342
flat angles P-C4'-P energy: -94.258
tors. eta vs tors. theta energy: -219.905
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: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2406.115968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.115968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.295456 (E_RNA)
where:
Base-Base interactions energy: -1593.680
where: short stacking energy: -707.707
Base-Backbone interact. energy: -2.587
local terms energy: -812.028815
where:
bonds (distance) C4'-P energy: -148.249
bonds (distance) P-C4' energy: -161.377
flat angles C4'-P-C4' energy: -173.889
flat angles P-C4'-P energy: -113.051
tors. eta vs tors. theta energy: -215.462
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: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2296.705671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.705671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.614799 (E_RNA)
where:
Base-Base interactions energy: -1583.869
where: short stacking energy: -670.095
Base-Backbone interact. energy: -4.443
local terms energy: -710.303374
where:
bonds (distance) C4'-P energy: -127.123
bonds (distance) P-C4' energy: -137.152
flat angles C4'-P-C4' energy: -154.129
flat angles P-C4'-P energy: -98.326
tors. eta vs tors. theta energy: -193.574
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2132.789990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.789990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.869479 (E_RNA)
where:
Base-Base interactions energy: -1435.900
where: short stacking energy: -619.126
Base-Backbone interact. energy: -3.030
local terms energy: -695.938733
where:
bonds (distance) C4'-P energy: -128.744
bonds (distance) P-C4' energy: -137.898
flat angles C4'-P-C4' energy: -174.232
flat angles P-C4'-P energy: -102.753
tors. eta vs tors. theta energy: -152.311
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: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2016.451343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.451343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.114176 (E_RNA)
where:
Base-Base interactions energy: -1341.178
where: short stacking energy: -560.219
Base-Backbone interact. energy: 0.835
local terms energy: -678.771209
where:
bonds (distance) C4'-P energy: -144.606
bonds (distance) P-C4' energy: -133.228
flat angles C4'-P-C4' energy: -153.463
flat angles P-C4'-P energy: -101.952
tors. eta vs tors. theta energy: -145.523
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: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1936.260010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.260010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.867829 (E_RNA)
where:
Base-Base interactions energy: -1308.227
where: short stacking energy: -533.829
Base-Backbone interact. energy: -3.964
local terms energy: -628.677011
where:
bonds (distance) C4'-P energy: -116.073
bonds (distance) P-C4' energy: -138.813
flat angles C4'-P-C4' energy: -146.921
flat angles P-C4'-P energy: -88.297
tors. eta vs tors. theta energy: -138.572
Dist. restrs. and SS energy: 4.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1829.681405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.681405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.139678 (E_RNA)
where:
Base-Base interactions energy: -1251.980
where: short stacking energy: -505.126
Base-Backbone interact. energy: -4.290
local terms energy: -577.870255
where:
bonds (distance) C4'-P energy: -121.531
bonds (distance) P-C4' energy: -133.149
flat angles C4'-P-C4' energy: -129.315
flat angles P-C4'-P energy: -80.702
tors. eta vs tors. theta energy: -113.174
Dist. restrs. and SS energy: 4.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2907.818508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.818508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.902034 (E_RNA)
where:
Base-Base interactions energy: -2027.524
where: short stacking energy: -814.913
Base-Backbone interact. energy: -1.245
local terms energy: -880.132240
where:
bonds (distance) C4'-P energy: -153.697
bonds (distance) P-C4' energy: -173.920
flat angles C4'-P-C4' energy: -178.985
flat angles P-C4'-P energy: -128.300
tors. eta vs tors. theta energy: -245.231
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: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2799.159631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.159631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.843356 (E_RNA)
where:
Base-Base interactions energy: -1971.700
where: short stacking energy: -804.051
Base-Backbone interact. energy: -4.459
local terms energy: -825.684888
where:
bonds (distance) C4'-P energy: -149.772
bonds (distance) P-C4' energy: -159.108
flat angles C4'-P-C4' energy: -181.315
flat angles P-C4'-P energy: -112.774
tors. eta vs tors. theta energy: -222.716
Dist. restrs. and SS energy: 2.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2617.201235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.201235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.124429 (E_RNA)
where:
Base-Base interactions energy: -1775.806
where: short stacking energy: -782.314
Base-Backbone interact. energy: -6.060
local terms energy: -837.257995
where:
bonds (distance) C4'-P energy: -152.108
bonds (distance) P-C4' energy: -138.818
flat angles C4'-P-C4' energy: -177.299
flat angles P-C4'-P energy: -131.238
tors. eta vs tors. theta energy: -237.795
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: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2609.266791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.266791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.477302 (E_RNA)
where:
Base-Base interactions energy: -1801.747
where: short stacking energy: -744.113
Base-Backbone interact. energy: -1.348
local terms energy: -809.383059
where:
bonds (distance) C4'-P energy: -148.381
bonds (distance) P-C4' energy: -148.794
flat angles C4'-P-C4' energy: -177.551
flat angles P-C4'-P energy: -118.134
tors. eta vs tors. theta energy: -216.522
Dist. restrs. and SS energy: 3.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2418.368474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.368474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.618039 (E_RNA)
where:
Base-Base interactions energy: -1648.705
where: short stacking energy: -699.453
Base-Backbone interact. energy: -3.312
local terms energy: -768.601371
where:
bonds (distance) C4'-P energy: -143.296
bonds (distance) P-C4' energy: -146.461
flat angles C4'-P-C4' energy: -151.032
flat angles P-C4'-P energy: -124.145
tors. eta vs tors. theta energy: -203.667
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: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2284.923863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.747165 (E_RNA)
where:
Base-Base interactions energy: -1574.746
where: short stacking energy: -678.962
Base-Backbone interact. energy: 1.478
local terms energy: -714.479649
where:
bonds (distance) C4'-P energy: -143.824
bonds (distance) P-C4' energy: -137.739
flat angles C4'-P-C4' energy: -161.750
flat angles P-C4'-P energy: -97.028
tors. eta vs tors. theta energy: -174.137
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2108.848830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.848830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.211592 (E_RNA)
where:
Base-Base interactions energy: -1410.784
where: short stacking energy: -614.377
Base-Backbone interact. energy: 0.778
local terms energy: -700.205496
where:
bonds (distance) C4'-P energy: -146.140
bonds (distance) P-C4' energy: -142.295
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -94.231
tors. eta vs tors. theta energy: -165.999
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: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1989.336518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.336518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.885427 (E_RNA)
where:
Base-Base interactions energy: -1348.629
where: short stacking energy: -589.935
Base-Backbone interact. energy: -0.293
local terms energy: -644.963304
where:
bonds (distance) C4'-P energy: -133.637
bonds (distance) P-C4' energy: -136.978
flat angles C4'-P-C4' energy: -144.809
flat angles P-C4'-P energy: -93.937
tors. eta vs tors. theta energy: -135.602
Dist. restrs. and SS energy: 4.549 (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: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1946.628631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.628631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.630383 (E_RNA)
where:
Base-Base interactions energy: -1329.941
where: short stacking energy: -551.285
Base-Backbone interact. energy: 1.172
local terms energy: -619.861146
where:
bonds (distance) C4'-P energy: -129.174
bonds (distance) P-C4' energy: -118.534
flat angles C4'-P-C4' energy: -140.195
flat angles P-C4'-P energy: -85.887
tors. eta vs tors. theta energy: -146.071
Dist. restrs. and SS energy: 2.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1823.484682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.484682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.857681 (E_RNA)
where:
Base-Base interactions energy: -1254.114
where: short stacking energy: -527.018
Base-Backbone interact. energy: 6.010
local terms energy: -579.754467
where:
bonds (distance) C4'-P energy: -108.141
bonds (distance) P-C4' energy: -121.465
flat angles C4'-P-C4' energy: -135.069
flat angles P-C4'-P energy: -87.050
tors. eta vs tors. theta energy: -128.030
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2904.023003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.023003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.021807 (E_RNA)
where:
Base-Base interactions energy: -2025.352
where: short stacking energy: -826.095
Base-Backbone interact. energy: -2.448
local terms energy: -877.222316
where:
bonds (distance) C4'-P energy: -161.635
bonds (distance) P-C4' energy: -150.717
flat angles C4'-P-C4' energy: -185.990
flat angles P-C4'-P energy: -129.636
tors. eta vs tors. theta energy: -249.245
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2816.311396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.311396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.164076 (E_RNA)
where:
Base-Base interactions energy: -1994.401
where: short stacking energy: -815.056
Base-Backbone interact. energy: 1.018
local terms energy: -824.782006
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -159.938
flat angles C4'-P-C4' energy: -179.989
flat angles P-C4'-P energy: -117.117
tors. eta vs tors. theta energy: -226.645
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: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2672.013058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.013058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.392851 (E_RNA)
where:
Base-Base interactions energy: -1865.592
where: short stacking energy: -766.623
Base-Backbone interact. energy: 3.766
local terms energy: -812.567027
where:
bonds (distance) C4'-P energy: -156.272
bonds (distance) P-C4' energy: -143.599
flat angles C4'-P-C4' energy: -175.506
flat angles P-C4'-P energy: -116.954
tors. eta vs tors. theta energy: -220.237
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: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2551.175683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.175683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.326890 (E_RNA)
where:
Base-Base interactions energy: -1735.287
where: short stacking energy: -739.382
Base-Backbone interact. energy: -3.063
local terms energy: -814.976879
where:
bonds (distance) C4'-P energy: -140.732
bonds (distance) P-C4' energy: -153.460
flat angles C4'-P-C4' energy: -181.818
flat angles P-C4'-P energy: -104.774
tors. eta vs tors. theta energy: -234.192
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2312.945643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.945643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.273252 (E_RNA)
where:
Base-Base interactions energy: -1568.018
where: short stacking energy: -649.591
Base-Backbone interact. energy: -1.281
local terms energy: -745.974251
where:
bonds (distance) C4'-P energy: -151.000
bonds (distance) P-C4' energy: -137.288
flat angles C4'-P-C4' energy: -176.423
flat angles P-C4'-P energy: -106.023
tors. eta vs tors. theta energy: -175.241
Dist. restrs. and SS energy: 2.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2306.171661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.171661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.298247 (E_RNA)
where:
Base-Base interactions energy: -1560.961
where: short stacking energy: -663.914
Base-Backbone interact. energy: 0.408
local terms energy: -746.744957
where:
bonds (distance) C4'-P energy: -127.779
bonds (distance) P-C4' energy: -150.330
flat angles C4'-P-C4' energy: -167.154
flat angles P-C4'-P energy: -99.588
tors. eta vs tors. theta energy: -201.894
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2129.145569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.145569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.121790 (E_RNA)
where:
Base-Base interactions energy: -1419.518
where: short stacking energy: -654.103
Base-Backbone interact. energy: -1.691
local terms energy: -710.913134
where:
bonds (distance) C4'-P energy: -129.605
bonds (distance) P-C4' energy: -153.526
flat angles C4'-P-C4' energy: -161.122
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -175.317
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2037.084956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.084956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.994969 (E_RNA)
where:
Base-Base interactions energy: -1375.790
where: short stacking energy: -561.134
Base-Backbone interact. energy: -8.027
local terms energy: -655.177839
where:
bonds (distance) C4'-P energy: -127.812
bonds (distance) P-C4' energy: -141.866
flat angles C4'-P-C4' energy: -140.372
flat angles P-C4'-P energy: -102.228
tors. eta vs tors. theta energy: -142.899
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: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1892.601389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.601389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.094300 (E_RNA)
where:
Base-Base interactions energy: -1280.137
where: short stacking energy: -529.579
Base-Backbone interact. energy: -0.831
local terms energy: -615.126439
where:
bonds (distance) C4'-P energy: -129.194
bonds (distance) P-C4' energy: -121.152
flat angles C4'-P-C4' energy: -143.766
flat angles P-C4'-P energy: -89.532
tors. eta vs tors. theta energy: -131.483
Dist. restrs. and SS energy: 3.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1886.872107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.872107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.569549 (E_RNA)
where:
Base-Base interactions energy: -1318.459
where: short stacking energy: -548.003
Base-Backbone interact. energy: 4.085
local terms energy: -575.195837
where:
bonds (distance) C4'-P energy: -79.602
bonds (distance) P-C4' energy: -125.364
flat angles C4'-P-C4' energy: -134.104
flat angles P-C4'-P energy: -81.691
tors. eta vs tors. theta energy: -154.435
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: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2878.678643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.678643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.471568 (E_RNA)
where:
Base-Base interactions energy: -2026.526
where: short stacking energy: -858.119
Base-Backbone interact. energy: -1.326
local terms energy: -852.619773
where:
bonds (distance) C4'-P energy: -158.672
bonds (distance) P-C4' energy: -146.570
flat angles C4'-P-C4' energy: -183.214
flat angles P-C4'-P energy: -130.431
tors. eta vs tors. theta energy: -233.732
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: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2823.108552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.108552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.402917 (E_RNA)
where:
Base-Base interactions energy: -1952.094
where: short stacking energy: -793.982
Base-Backbone interact. energy: -2.777
local terms energy: -871.532435
where:
bonds (distance) C4'-P energy: -155.012
bonds (distance) P-C4' energy: -148.491
flat angles C4'-P-C4' energy: -200.541
flat angles P-C4'-P energy: -135.639
tors. eta vs tors. theta energy: -231.849
Dist. restrs. and SS energy: 3.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2686.123796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.123796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.474091 (E_RNA)
where:
Base-Base interactions energy: -1859.094
where: short stacking energy: -797.801
Base-Backbone interact. energy: -1.832
local terms energy: -827.548390
where:
bonds (distance) C4'-P energy: -150.557
bonds (distance) P-C4' energy: -150.196
flat angles C4'-P-C4' energy: -186.357
flat angles P-C4'-P energy: -114.364
tors. eta vs tors. theta energy: -226.074
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2530.437605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.437605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.496580 (E_RNA)
where:
Base-Base interactions energy: -1723.707
where: short stacking energy: -741.457
Base-Backbone interact. energy: 2.890
local terms energy: -811.680201
where:
bonds (distance) C4'-P energy: -143.295
bonds (distance) P-C4' energy: -163.364
flat angles C4'-P-C4' energy: -172.525
flat angles P-C4'-P energy: -119.731
tors. eta vs tors. theta energy: -212.765
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2371.701804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.701804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.054011 (E_RNA)
where:
Base-Base interactions energy: -1613.715
where: short stacking energy: -691.023
Base-Backbone interact. energy: -4.461
local terms energy: -754.878397
where:
bonds (distance) C4'-P energy: -158.452
bonds (distance) P-C4' energy: -138.897
flat angles C4'-P-C4' energy: -158.560
flat angles P-C4'-P energy: -105.110
tors. eta vs tors. theta energy: -193.859
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: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2326.236642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.236642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.789972 (E_RNA)
where:
Base-Base interactions energy: -1592.833
where: short stacking energy: -689.879
Base-Backbone interact. energy: 2.445
local terms energy: -738.401475
where:
bonds (distance) C4'-P energy: -145.798
bonds (distance) P-C4' energy: -147.685
flat angles C4'-P-C4' energy: -140.375
flat angles P-C4'-P energy: -103.184
tors. eta vs tors. theta energy: -201.360
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: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2099.445051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.445051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.351864 (E_RNA)
where:
Base-Base interactions energy: -1395.492
where: short stacking energy: -592.422
Base-Backbone interact. energy: -3.120
local terms energy: -705.739679
where:
bonds (distance) C4'-P energy: -167.116
bonds (distance) P-C4' energy: -137.257
flat angles C4'-P-C4' energy: -149.367
flat angles P-C4'-P energy: -96.306
tors. eta vs tors. theta energy: -155.694
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2077.260989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.260989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.015833 (E_RNA)
where:
Base-Base interactions energy: -1408.533
where: short stacking energy: -630.584
Base-Backbone interact. energy: 5.082
local terms energy: -676.565157
where:
bonds (distance) C4'-P energy: -145.011
bonds (distance) P-C4' energy: -108.152
flat angles C4'-P-C4' energy: -158.042
flat angles P-C4'-P energy: -97.178
tors. eta vs tors. theta energy: -168.182
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1915.928188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.928188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.392787 (E_RNA)
where:
Base-Base interactions energy: -1283.624
where: short stacking energy: -546.750
Base-Backbone interact. energy: -0.193
local terms energy: -642.575163
where:
bonds (distance) C4'-P energy: -122.938
bonds (distance) P-C4' energy: -149.774
flat angles C4'-P-C4' energy: -150.687
flat angles P-C4'-P energy: -82.816
tors. eta vs tors. theta energy: -136.359
Dist. restrs. and SS energy: 10.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1892.789716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.789716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.425840 (E_RNA)
where:
Base-Base interactions energy: -1277.458
where: short stacking energy: -542.435
Base-Backbone interact. energy: -2.091
local terms energy: -615.877584
where:
bonds (distance) C4'-P energy: -106.055
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -139.147
flat angles P-C4'-P energy: -80.699
tors. eta vs tors. theta energy: -154.492
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2916.663523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.663523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.228508 (E_RNA)
where:
Base-Base interactions energy: -2048.684
where: short stacking energy: -825.453
Base-Backbone interact. energy: -1.157
local terms energy: -868.387602
where:
bonds (distance) C4'-P energy: -156.969
bonds (distance) P-C4' energy: -172.865
flat angles C4'-P-C4' energy: -186.432
flat angles P-C4'-P energy: -116.833
tors. eta vs tors. theta energy: -235.288
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: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2814.182141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.182141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.449818 (E_RNA)
where:
Base-Base interactions energy: -1962.760
where: short stacking energy: -789.986
Base-Backbone interact. energy: 5.103
local terms energy: -858.792323
where:
bonds (distance) C4'-P energy: -157.541
bonds (distance) P-C4' energy: -161.212
flat angles C4'-P-C4' energy: -179.540
flat angles P-C4'-P energy: -124.586
tors. eta vs tors. theta energy: -235.913
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2678.502696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.502696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.860151 (E_RNA)
where:
Base-Base interactions energy: -1823.836
where: short stacking energy: -761.778
Base-Backbone interact. energy: -4.370
local terms energy: -852.654128
where:
bonds (distance) C4'-P energy: -140.258
bonds (distance) P-C4' energy: -179.165
flat angles C4'-P-C4' energy: -190.042
flat angles P-C4'-P energy: -129.823
tors. eta vs tors. theta energy: -213.365
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2523.558157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.558157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.834741 (E_RNA)
where:
Base-Base interactions energy: -1712.390
where: short stacking energy: -747.446
Base-Backbone interact. energy: -1.963
local terms energy: -811.481783
where:
bonds (distance) C4'-P energy: -148.405
bonds (distance) P-C4' energy: -149.189
flat angles C4'-P-C4' energy: -171.507
flat angles P-C4'-P energy: -113.492
tors. eta vs tors. theta energy: -228.889
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: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2364.617211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.617211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.797859 (E_RNA)
where:
Base-Base interactions energy: -1578.741
where: short stacking energy: -657.558
Base-Backbone interact. energy: 0.393
local terms energy: -789.449514
where:
bonds (distance) C4'-P energy: -154.159
bonds (distance) P-C4' energy: -158.104
flat angles C4'-P-C4' energy: -169.058
flat angles P-C4'-P energy: -112.520
tors. eta vs tors. theta energy: -195.609
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: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2344.291640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.291640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.578858 (E_RNA)
where:
Base-Base interactions energy: -1615.475
where: short stacking energy: -672.374
Base-Backbone interact. energy: 5.628
local terms energy: -736.731630
where:
bonds (distance) C4'-P energy: -139.215
bonds (distance) P-C4' energy: -141.841
flat angles C4'-P-C4' energy: -164.104
flat angles P-C4'-P energy: -93.893
tors. eta vs tors. theta energy: -197.679
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2079.574859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.574859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.510083 (E_RNA)
where:
Base-Base interactions energy: -1386.154
where: short stacking energy: -599.042
Base-Backbone interact. energy: -2.451
local terms energy: -692.904322
where:
bonds (distance) C4'-P energy: -132.398
bonds (distance) P-C4' energy: -153.672
flat angles C4'-P-C4' energy: -152.168
flat angles P-C4'-P energy: -104.565
tors. eta vs tors. theta energy: -150.101
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: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -2055.914286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.914286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.593976 (E_RNA)
where:
Base-Base interactions energy: -1403.639
where: short stacking energy: -602.786
Base-Backbone interact. energy: -1.449
local terms energy: -653.506218
where:
bonds (distance) C4'-P energy: -107.902
bonds (distance) P-C4' energy: -145.059
flat angles C4'-P-C4' energy: -148.759
flat angles P-C4'-P energy: -90.711
tors. eta vs tors. theta energy: -161.076
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1956.883715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.883715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.432752 (E_RNA)
where:
Base-Base interactions energy: -1320.731
where: short stacking energy: -570.961
Base-Backbone interact. energy: -2.277
local terms energy: -636.425406
where:
bonds (distance) C4'-P energy: -136.128
bonds (distance) P-C4' energy: -124.192
flat angles C4'-P-C4' energy: -127.010
flat angles P-C4'-P energy: -97.250
tors. eta vs tors. theta energy: -151.846
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: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1934.791794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.791794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.529708 (E_RNA)
where:
Base-Base interactions energy: -1287.506
where: short stacking energy: -546.802
Base-Backbone interact. energy: 4.063
local terms energy: -654.086135
where:
bonds (distance) C4'-P energy: -122.454
bonds (distance) P-C4' energy: -140.609
flat angles C4'-P-C4' energy: -135.002
flat angles P-C4'-P energy: -94.000
tors. eta vs tors. theta energy: -162.022
Dist. restrs. and SS energy: 2.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2927.587017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.587017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.899616 (E_RNA)
where:
Base-Base interactions energy: -2051.249
where: short stacking energy: -826.956
Base-Backbone interact. energy: 1.897
local terms energy: -879.547520
where:
bonds (distance) C4'-P energy: -160.451
bonds (distance) P-C4' energy: -161.522
flat angles C4'-P-C4' energy: -189.934
flat angles P-C4'-P energy: -125.008
tors. eta vs tors. theta energy: -242.633
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2844.050326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.050326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.823403 (E_RNA)
where:
Base-Base interactions energy: -1983.073
where: short stacking energy: -804.720
Base-Backbone interact. energy: -3.916
local terms energy: -859.834115
where:
bonds (distance) C4'-P energy: -143.522
bonds (distance) P-C4' energy: -171.089
flat angles C4'-P-C4' energy: -195.243
flat angles P-C4'-P energy: -119.524
tors. eta vs tors. theta energy: -230.455
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2680.695511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.695511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.595779 (E_RNA)
where:
Base-Base interactions energy: -1845.150
where: short stacking energy: -774.515
Base-Backbone interact. energy: -3.020
local terms energy: -835.425028
where:
bonds (distance) C4'-P energy: -158.350
bonds (distance) P-C4' energy: -171.834
flat angles C4'-P-C4' energy: -177.639
flat angles P-C4'-P energy: -94.296
tors. eta vs tors. theta energy: -233.305
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2488.675371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.675371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.618316 (E_RNA)
where:
Base-Base interactions energy: -1725.906
where: short stacking energy: -722.359
Base-Backbone interact. energy: 1.481
local terms energy: -765.193414
where:
bonds (distance) C4'-P energy: -149.510
bonds (distance) P-C4' energy: -146.228
flat angles C4'-P-C4' energy: -164.832
flat angles P-C4'-P energy: -108.623
tors. eta vs tors. theta energy: -196.001
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2390.282333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.282333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.136058 (E_RNA)
where:
Base-Base interactions energy: -1648.435
where: short stacking energy: -701.271
Base-Backbone interact. energy: -2.908
local terms energy: -740.793227
where:
bonds (distance) C4'-P energy: -137.090
bonds (distance) P-C4' energy: -146.838
flat angles C4'-P-C4' energy: -160.094
flat angles P-C4'-P energy: -90.053
tors. eta vs tors. theta energy: -206.717
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2294.707465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.707465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.817359 (E_RNA)
where:
Base-Base interactions energy: -1599.445
where: short stacking energy: -676.545
Base-Backbone interact. energy: -2.530
local terms energy: -694.843119
where:
bonds (distance) C4'-P energy: -133.646
bonds (distance) P-C4' energy: -128.722
flat angles C4'-P-C4' energy: -161.806
flat angles P-C4'-P energy: -86.385
tors. eta vs tors. theta energy: -184.284
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2079.067434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.067434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.383378 (E_RNA)
where:
Base-Base interactions energy: -1414.821
where: short stacking energy: -621.778
Base-Backbone interact. energy: 3.928
local terms energy: -670.490339
where:
bonds (distance) C4'-P energy: -141.222
bonds (distance) P-C4' energy: -135.532
flat angles C4'-P-C4' energy: -140.890
flat angles P-C4'-P energy: -86.955
tors. eta vs tors. theta energy: -165.892
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2009.869863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.869863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.710567 (E_RNA)
where:
Base-Base interactions energy: -1352.771
where: short stacking energy: -575.709
Base-Backbone interact. energy: -0.281
local terms energy: -661.658302
where:
bonds (distance) C4'-P energy: -150.337
bonds (distance) P-C4' energy: -113.716
flat angles C4'-P-C4' energy: -150.788
flat angles P-C4'-P energy: -83.394
tors. eta vs tors. theta energy: -163.423
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1974.655601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.655601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.625711 (E_RNA)
where:
Base-Base interactions energy: -1335.541
where: short stacking energy: -562.983
Base-Backbone interact. energy: -1.495
local terms energy: -640.590324
where:
bonds (distance) C4'-P energy: -132.657
bonds (distance) P-C4' energy: -143.758
flat angles C4'-P-C4' energy: -143.397
flat angles P-C4'-P energy: -76.914
tors. eta vs tors. theta energy: -143.865
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1906.240466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.240466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.900180 (E_RNA)
where:
Base-Base interactions energy: -1309.236
where: short stacking energy: -549.894
Base-Backbone interact. energy: 2.758
local terms energy: -602.422371
where:
bonds (distance) C4'-P energy: -125.849
bonds (distance) P-C4' energy: -130.570
flat angles C4'-P-C4' energy: -128.991
flat angles P-C4'-P energy: -80.813
tors. eta vs tors. theta energy: -136.200
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: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2884.489106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.489106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.168492 (E_RNA)
where:
Base-Base interactions energy: -2006.271
where: short stacking energy: -840.700
Base-Backbone interact. energy: -5.698
local terms energy: -874.199145
where:
bonds (distance) C4'-P energy: -156.035
bonds (distance) P-C4' energy: -162.734
flat angles C4'-P-C4' energy: -180.389
flat angles P-C4'-P energy: -131.091
tors. eta vs tors. theta energy: -243.950
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: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2875.579630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.579630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.553878 (E_RNA)
where:
Base-Base interactions energy: -2003.893
where: short stacking energy: -809.815
Base-Backbone interact. energy: -3.667
local terms energy: -871.993600
where:
bonds (distance) C4'-P energy: -152.357
bonds (distance) P-C4' energy: -174.459
flat angles C4'-P-C4' energy: -188.445
flat angles P-C4'-P energy: -120.574
tors. eta vs tors. theta energy: -236.159
Dist. restrs. and SS energy: 3.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2631.587544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.587544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.466698 (E_RNA)
where:
Base-Base interactions energy: -1790.510
where: short stacking energy: -754.121
Base-Backbone interact. energy: -3.759
local terms energy: -840.197346
where:
bonds (distance) C4'-P energy: -156.642
bonds (distance) P-C4' energy: -162.529
flat angles C4'-P-C4' energy: -177.074
flat angles P-C4'-P energy: -116.463
tors. eta vs tors. theta energy: -227.489
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: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2491.180924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.180924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.908297 (E_RNA)
where:
Base-Base interactions energy: -1692.299
where: short stacking energy: -742.400
Base-Backbone interact. energy: -2.301
local terms energy: -798.307741
where:
bonds (distance) C4'-P energy: -143.734
bonds (distance) P-C4' energy: -141.080
flat angles C4'-P-C4' energy: -173.265
flat angles P-C4'-P energy: -119.619
tors. eta vs tors. theta energy: -220.610
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2405.393209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.393209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.756332 (E_RNA)
where:
Base-Base interactions energy: -1628.723
where: short stacking energy: -685.410
Base-Backbone interact. energy: -4.872
local terms energy: -773.161730
where:
bonds (distance) C4'-P energy: -143.081
bonds (distance) P-C4' energy: -160.447
flat angles C4'-P-C4' energy: -170.576
flat angles P-C4'-P energy: -103.493
tors. eta vs tors. theta energy: -195.564
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2299.295285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.295285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.789860 (E_RNA)
where:
Base-Base interactions energy: -1561.766
where: short stacking energy: -640.396
Base-Backbone interact. energy: -3.239
local terms energy: -736.785013
where:
bonds (distance) C4'-P energy: -138.104
bonds (distance) P-C4' energy: -165.000
flat angles C4'-P-C4' energy: -149.452
flat angles P-C4'-P energy: -110.341
tors. eta vs tors. theta energy: -173.889
Dist. restrs. and SS energy: 2.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2103.048966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.048966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.426085 (E_RNA)
where:
Base-Base interactions energy: -1394.560
where: short stacking energy: -604.913
Base-Backbone interact. energy: -2.833
local terms energy: -709.032605
where:
bonds (distance) C4'-P energy: -133.631
bonds (distance) P-C4' energy: -148.865
flat angles C4'-P-C4' energy: -168.821
flat angles P-C4'-P energy: -92.677
tors. eta vs tors. theta energy: -165.038
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2026.467914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.467914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.934860 (E_RNA)
where:
Base-Base interactions energy: -1349.165
where: short stacking energy: -587.435
Base-Backbone interact. energy: 2.939
local terms energy: -682.708412
where:
bonds (distance) C4'-P energy: -133.240
bonds (distance) P-C4' energy: -137.790
flat angles C4'-P-C4' energy: -160.440
flat angles P-C4'-P energy: -102.278
tors. eta vs tors. theta energy: -148.960
Dist. restrs. and SS energy: 2.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1910.560799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.560799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.002602 (E_RNA)
where:
Base-Base interactions energy: -1275.433
where: short stacking energy: -534.136
Base-Backbone interact. energy: 0.726
local terms energy: -638.295311
where:
bonds (distance) C4'-P energy: -132.561
bonds (distance) P-C4' energy: -136.253
flat angles C4'-P-C4' energy: -148.029
flat angles P-C4'-P energy: -82.089
tors. eta vs tors. theta energy: -139.363
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: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1865.247911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.247911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.407186 (E_RNA)
where:
Base-Base interactions energy: -1274.371
where: short stacking energy: -532.753
Base-Backbone interact. energy: 2.061
local terms energy: -599.097278
where:
bonds (distance) C4'-P energy: -101.060
bonds (distance) P-C4' energy: -117.379
flat angles C4'-P-C4' energy: -159.717
flat angles P-C4'-P energy: -97.098
tors. eta vs tors. theta energy: -123.842
Dist. restrs. and SS energy: 6.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2897.009469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.009469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.840666 (E_RNA)
where:
Base-Base interactions energy: -2020.488
where: short stacking energy: -833.420
Base-Backbone interact. energy: -2.702
local terms energy: -874.650679
where:
bonds (distance) C4'-P energy: -156.100
bonds (distance) P-C4' energy: -168.657
flat angles C4'-P-C4' energy: -188.704
flat angles P-C4'-P energy: -121.460
tors. eta vs tors. theta energy: -239.729
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2811.526099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.526099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.940138 (E_RNA)
where:
Base-Base interactions energy: -1983.309
where: short stacking energy: -774.864
Base-Backbone interact. energy: -3.843
local terms energy: -826.788215
where:
bonds (distance) C4'-P energy: -148.199
bonds (distance) P-C4' energy: -139.332
flat angles C4'-P-C4' energy: -180.289
flat angles P-C4'-P energy: -135.065
tors. eta vs tors. theta energy: -223.904
Dist. restrs. and SS energy: 2.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2651.508571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.508571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.592987 (E_RNA)
where:
Base-Base interactions energy: -1831.158
where: short stacking energy: -804.080
Base-Backbone interact. energy: -4.391
local terms energy: -818.044569
where:
bonds (distance) C4'-P energy: -154.659
bonds (distance) P-C4' energy: -139.963
flat angles C4'-P-C4' energy: -182.544
flat angles P-C4'-P energy: -113.479
tors. eta vs tors. theta energy: -227.399
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: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2530.254497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.254497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.498468 (E_RNA)
where:
Base-Base interactions energy: -1743.902
where: short stacking energy: -739.415
Base-Backbone interact. energy: 2.066
local terms energy: -790.662794
where:
bonds (distance) C4'-P energy: -152.968
bonds (distance) P-C4' energy: -156.162
flat angles C4'-P-C4' energy: -183.255
flat angles P-C4'-P energy: -89.686
tors. eta vs tors. theta energy: -208.591
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2433.526845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.526845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.557801 (E_RNA)
where:
Base-Base interactions energy: -1675.238
where: short stacking energy: -702.504
Base-Backbone interact. energy: -4.039
local terms energy: -756.280390
where:
bonds (distance) C4'-P energy: -128.522
bonds (distance) P-C4' energy: -144.959
flat angles C4'-P-C4' energy: -169.537
flat angles P-C4'-P energy: -113.226
tors. eta vs tors. theta energy: -200.037
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: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2303.579565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.579565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.966804 (E_RNA)
where:
Base-Base interactions energy: -1550.625
where: short stacking energy: -672.520
Base-Backbone interact. energy: -1.792
local terms energy: -753.549797
where:
bonds (distance) C4'-P energy: -145.974
bonds (distance) P-C4' energy: -151.384
flat angles C4'-P-C4' energy: -158.011
flat angles P-C4'-P energy: -94.817
tors. eta vs tors. theta energy: -203.363
Dist. restrs. and SS energy: 2.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2096.949579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.949579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.363243 (E_RNA)
where:
Base-Base interactions energy: -1401.996
where: short stacking energy: -616.304
Base-Backbone interact. energy: 3.295
local terms energy: -701.661979
where:
bonds (distance) C4'-P energy: -138.446
bonds (distance) P-C4' energy: -157.371
flat angles C4'-P-C4' energy: -162.060
flat angles P-C4'-P energy: -85.458
tors. eta vs tors. theta energy: -158.326
Dist. restrs. and SS energy: 3.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2016.829865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.829865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.201061 (E_RNA)
where:
Base-Base interactions energy: -1365.343
where: short stacking energy: -566.134
Base-Backbone interact. energy: 1.439
local terms energy: -655.297266
where:
bonds (distance) C4'-P energy: -113.064
bonds (distance) P-C4' energy: -138.957
flat angles C4'-P-C4' energy: -155.262
flat angles P-C4'-P energy: -99.462
tors. eta vs tors. theta energy: -148.553
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1960.095615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.095615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.244113 (E_RNA)
where:
Base-Base interactions energy: -1350.721
where: short stacking energy: -583.323
Base-Backbone interact. energy: -1.508
local terms energy: -610.014882
where:
bonds (distance) C4'-P energy: -146.465
bonds (distance) P-C4' energy: -130.603
flat angles C4'-P-C4' energy: -125.127
flat angles P-C4'-P energy: -63.826
tors. eta vs tors. theta energy: -143.994
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: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1856.016078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.016078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.831986 (E_RNA)
where:
Base-Base interactions energy: -1258.607
where: short stacking energy: -527.866
Base-Backbone interact. energy: 2.865
local terms energy: -603.089907
where:
bonds (distance) C4'-P energy: -117.847
bonds (distance) P-C4' energy: -136.600
flat angles C4'-P-C4' energy: -135.899
flat angles P-C4'-P energy: -79.523
tors. eta vs tors. theta energy: -133.220
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2881.588196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.588196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.216651 (E_RNA)
where:
Base-Base interactions energy: -2009.794
where: short stacking energy: -833.100
Base-Backbone interact. energy: -1.869
local terms energy: -871.553741
where:
bonds (distance) C4'-P energy: -163.144
bonds (distance) P-C4' energy: -151.298
flat angles C4'-P-C4' energy: -186.460
flat angles P-C4'-P energy: -127.484
tors. eta vs tors. theta energy: -243.167
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2805.911957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.911957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.299297 (E_RNA)
where:
Base-Base interactions energy: -1982.484
where: short stacking energy: -807.457
Base-Backbone interact. energy: 4.530
local terms energy: -830.344893
where:
bonds (distance) C4'-P energy: -135.944
bonds (distance) P-C4' energy: -161.090
flat angles C4'-P-C4' energy: -192.413
flat angles P-C4'-P energy: -122.649
tors. eta vs tors. theta energy: -218.249
Dist. restrs. and SS energy: 2.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2644.399320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.399320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.433327 (E_RNA)
where:
Base-Base interactions energy: -1825.051
where: short stacking energy: -774.954
Base-Backbone interact. energy: -4.130
local terms energy: -817.251710
where:
bonds (distance) C4'-P energy: -155.435
bonds (distance) P-C4' energy: -148.799
flat angles C4'-P-C4' energy: -169.573
flat angles P-C4'-P energy: -106.289
tors. eta vs tors. theta energy: -237.156
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2474.581679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.581679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.630969 (E_RNA)
where:
Base-Base interactions energy: -1658.642
where: short stacking energy: -725.575
Base-Backbone interact. energy: -2.662
local terms energy: -815.326803
where:
bonds (distance) C4'-P energy: -148.076
bonds (distance) P-C4' energy: -154.166
flat angles C4'-P-C4' energy: -171.033
flat angles P-C4'-P energy: -124.413
tors. eta vs tors. theta energy: -217.639
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: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2442.267522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.267522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.110519 (E_RNA)
where:
Base-Base interactions energy: -1663.998
where: short stacking energy: -685.188
Base-Backbone interact. energy: 1.214
local terms energy: -781.325685
where:
bonds (distance) C4'-P energy: -146.742
bonds (distance) P-C4' energy: -147.378
flat angles C4'-P-C4' energy: -172.676
flat angles P-C4'-P energy: -116.824
tors. eta vs tors. theta energy: -197.706
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2296.339897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.339897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.989369 (E_RNA)
where:
Base-Base interactions energy: -1533.890
where: short stacking energy: -654.744
Base-Backbone interact. energy: 0.523
local terms energy: -765.622888
where:
bonds (distance) C4'-P energy: -144.922
bonds (distance) P-C4' energy: -167.279
flat angles C4'-P-C4' energy: -167.729
flat angles P-C4'-P energy: -106.005
tors. eta vs tors. theta energy: -179.688
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: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2060.071575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.071575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.691864 (E_RNA)
where:
Base-Base interactions energy: -1413.749
where: short stacking energy: -620.290
Base-Backbone interact. energy: -0.933
local terms energy: -648.009778
where:
bonds (distance) C4'-P energy: -122.424
bonds (distance) P-C4' energy: -128.487
flat angles C4'-P-C4' energy: -149.100
flat angles P-C4'-P energy: -85.454
tors. eta vs tors. theta energy: -162.546
Dist. restrs. and SS energy: 2.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2068.465063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.465063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.089533 (E_RNA)
where:
Base-Base interactions energy: -1402.354
where: short stacking energy: -609.238
Base-Backbone interact. energy: -6.739
local terms energy: -660.995975
where:
bonds (distance) C4'-P energy: -144.999
bonds (distance) P-C4' energy: -125.409
flat angles C4'-P-C4' energy: -129.337
flat angles P-C4'-P energy: -100.277
tors. eta vs tors. theta energy: -160.973
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1935.400563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.400563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.708056 (E_RNA)
where:
Base-Base interactions energy: -1280.573
where: short stacking energy: -545.859
Base-Backbone interact. energy: 1.187
local terms energy: -661.322719
where:
bonds (distance) C4'-P energy: -131.231
bonds (distance) P-C4' energy: -142.591
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -103.164
tors. eta vs tors. theta energy: -145.920
Dist. restrs. and SS energy: 5.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1877.774934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.774934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.436191 (E_RNA)
where:
Base-Base interactions energy: -1300.653
where: short stacking energy: -532.679
Base-Backbone interact. energy: 3.183
local terms energy: -581.965391
where:
bonds (distance) C4'-P energy: -124.600
bonds (distance) P-C4' energy: -111.066
flat angles C4'-P-C4' energy: -138.165
flat angles P-C4'-P energy: -88.919
tors. eta vs tors. theta energy: -119.216
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2903.882369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.882369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.579414 (E_RNA)
where:
Base-Base interactions energy: -2011.782
where: short stacking energy: -846.797
Base-Backbone interact. energy: -2.899
local terms energy: -890.898282
where:
bonds (distance) C4'-P energy: -152.314
bonds (distance) P-C4' energy: -182.673
flat angles C4'-P-C4' energy: -176.648
flat angles P-C4'-P energy: -120.835
tors. eta vs tors. theta energy: -258.429
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2830.613667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.613667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.942711 (E_RNA)
where:
Base-Base interactions energy: -1975.417
where: short stacking energy: -807.255
Base-Backbone interact. energy: -1.785
local terms energy: -854.740345
where:
bonds (distance) C4'-P energy: -157.282
bonds (distance) P-C4' energy: -168.339
flat angles C4'-P-C4' energy: -174.072
flat angles P-C4'-P energy: -119.524
tors. eta vs tors. theta energy: -235.524
Dist. restrs. and SS energy: 1.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2673.432955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.432955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.731220 (E_RNA)
where:
Base-Base interactions energy: -1856.461
where: short stacking energy: -761.376
Base-Backbone interact. energy: 2.950
local terms energy: -823.220090
where:
bonds (distance) C4'-P energy: -139.818
bonds (distance) P-C4' energy: -157.770
flat angles C4'-P-C4' energy: -177.990
flat angles P-C4'-P energy: -120.053
tors. eta vs tors. theta energy: -227.589
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: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2464.380770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.005144 (E_RNA)
where:
Base-Base interactions energy: -1664.333
where: short stacking energy: -700.345
Base-Backbone interact. energy: -2.634
local terms energy: -799.037795
where:
bonds (distance) C4'-P energy: -143.903
bonds (distance) P-C4' energy: -155.516
flat angles C4'-P-C4' energy: -172.902
flat angles P-C4'-P energy: -128.430
tors. eta vs tors. theta energy: -198.287
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: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2400.005694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.005694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.391411 (E_RNA)
where:
Base-Base interactions energy: -1649.178
where: short stacking energy: -707.236
Base-Backbone interact. energy: -3.367
local terms energy: -749.846575
where:
bonds (distance) C4'-P energy: -156.331
bonds (distance) P-C4' energy: -146.677
flat angles C4'-P-C4' energy: -155.700
flat angles P-C4'-P energy: -98.920
tors. eta vs tors. theta energy: -192.218
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: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2255.146245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.146245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.044012 (E_RNA)
where:
Base-Base interactions energy: -1507.193
where: short stacking energy: -639.280
Base-Backbone interact. energy: -1.999
local terms energy: -747.852529
where:
bonds (distance) C4'-P energy: -142.238
bonds (distance) P-C4' energy: -151.639
flat angles C4'-P-C4' energy: -168.840
flat angles P-C4'-P energy: -115.423
tors. eta vs tors. theta energy: -169.713
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: 343
Temperature: 1.200000
Total energy: -2095.651815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.651815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.464655 (E_RNA)
where:
Base-Base interactions energy: -1438.260
where: short stacking energy: -630.567
Base-Backbone interact. energy: -0.801
local terms energy: -659.404201
where:
bonds (distance) C4'-P energy: -111.265
bonds (distance) P-C4' energy: -125.298
flat angles C4'-P-C4' energy: -161.238
flat angles P-C4'-P energy: -99.936
tors. eta vs tors. theta energy: -161.668
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: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2069.300557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.300557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.646185 (E_RNA)
where:
Base-Base interactions energy: -1377.683
where: short stacking energy: -594.948
Base-Backbone interact. energy: 0.264
local terms energy: -694.227362
where:
bonds (distance) C4'-P energy: -120.800
bonds (distance) P-C4' energy: -145.057
flat angles C4'-P-C4' energy: -152.059
flat angles P-C4'-P energy: -100.529
tors. eta vs tors. theta energy: -175.782
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: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1947.080229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.080229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.997231 (E_RNA)
where:
Base-Base interactions energy: -1318.437
where: short stacking energy: -560.041
Base-Backbone interact. energy: 0.233
local terms energy: -630.793398
where:
bonds (distance) C4'-P energy: -89.663
bonds (distance) P-C4' energy: -166.723
flat angles C4'-P-C4' energy: -136.231
flat angles P-C4'-P energy: -102.693
tors. eta vs tors. theta energy: -135.484
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: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1859.567478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.567478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.799631 (E_RNA)
where:
Base-Base interactions energy: -1254.123
where: short stacking energy: -537.266
Base-Backbone interact. energy: -0.736
local terms energy: -607.940733
where:
bonds (distance) C4'-P energy: -133.381
bonds (distance) P-C4' energy: -114.994
flat angles C4'-P-C4' energy: -151.139
flat angles P-C4'-P energy: -79.174
tors. eta vs tors. theta energy: -129.254
Dist. restrs. and SS energy: 3.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2910.459309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.459309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.516578 (E_RNA)
where:
Base-Base interactions energy: -2006.028
where: short stacking energy: -843.576
Base-Backbone interact. energy: -5.295
local terms energy: -900.193562
where:
bonds (distance) C4'-P energy: -169.416
bonds (distance) P-C4' energy: -178.583
flat angles C4'-P-C4' energy: -184.438
flat angles P-C4'-P energy: -112.687
tors. eta vs tors. theta energy: -255.068
Dist. restrs. and SS energy: 1.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2829.371737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.371737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.167373 (E_RNA)
where:
Base-Base interactions energy: -1978.463
where: short stacking energy: -796.579
Base-Backbone interact. energy: -2.514
local terms energy: -850.190281
where:
bonds (distance) C4'-P energy: -165.603
bonds (distance) P-C4' energy: -151.449
flat angles C4'-P-C4' energy: -179.545
flat angles P-C4'-P energy: -121.360
tors. eta vs tors. theta energy: -232.234
Dist. restrs. and SS energy: 1.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2674.791661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.791661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.667795 (E_RNA)
where:
Base-Base interactions energy: -1838.454
where: short stacking energy: -760.032
Base-Backbone interact. energy: -2.877
local terms energy: -837.335888
where:
bonds (distance) C4'-P energy: -158.895
bonds (distance) P-C4' energy: -156.970
flat angles C4'-P-C4' energy: -176.051
flat angles P-C4'-P energy: -119.594
tors. eta vs tors. theta energy: -225.826
Dist. restrs. and SS energy: 3.876 (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: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2493.757633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.757633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.671864 (E_RNA)
where:
Base-Base interactions energy: -1705.104
where: short stacking energy: -718.334
Base-Backbone interact. energy: -2.664
local terms energy: -787.903371
where:
bonds (distance) C4'-P energy: -130.046
bonds (distance) P-C4' energy: -161.640
flat angles C4'-P-C4' energy: -185.834
flat angles P-C4'-P energy: -106.846
tors. eta vs tors. theta energy: -203.538
Dist. restrs. and SS energy: 1.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2443.902281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.902281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.008780 (E_RNA)
where:
Base-Base interactions energy: -1680.103
where: short stacking energy: -755.613
Base-Backbone interact. energy: -1.646
local terms energy: -764.260098
where:
bonds (distance) C4'-P energy: -147.583
bonds (distance) P-C4' energy: -143.457
flat angles C4'-P-C4' energy: -160.927
flat angles P-C4'-P energy: -109.281
tors. eta vs tors. theta energy: -203.012
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: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2290.983410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.983410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.390036 (E_RNA)
where:
Base-Base interactions energy: -1573.304
where: short stacking energy: -655.141
Base-Backbone interact. energy: 3.627
local terms energy: -723.713361
where:
bonds (distance) C4'-P energy: -128.598
bonds (distance) P-C4' energy: -138.687
flat angles C4'-P-C4' energy: -157.337
flat angles P-C4'-P energy: -111.151
tors. eta vs tors. theta energy: -187.941
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: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2091.831900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.831900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.841587 (E_RNA)
where:
Base-Base interactions energy: -1379.189
where: short stacking energy: -596.312
Base-Backbone interact. energy: 3.500
local terms energy: -719.152406
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -166.128
flat angles C4'-P-C4' energy: -158.850
flat angles P-C4'-P energy: -101.910
tors. eta vs tors. theta energy: -160.342
Dist. restrs. and SS energy: 3.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2073.383975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.383975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.900712 (E_RNA)
where:
Base-Base interactions energy: -1394.506
where: short stacking energy: -608.669
Base-Backbone interact. energy: -1.636
local terms energy: -679.758950
where:
bonds (distance) C4'-P energy: -121.180
bonds (distance) P-C4' energy: -153.854
flat angles C4'-P-C4' energy: -153.642
flat angles P-C4'-P energy: -87.006
tors. eta vs tors. theta energy: -164.078
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: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1961.781669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.781669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.099665 (E_RNA)
where:
Base-Base interactions energy: -1319.888
where: short stacking energy: -572.151
Base-Backbone interact. energy: -0.236
local terms energy: -643.976010
where:
bonds (distance) C4'-P energy: -124.922
bonds (distance) P-C4' energy: -138.564
flat angles C4'-P-C4' energy: -149.677
flat angles P-C4'-P energy: -84.862
tors. eta vs tors. theta energy: -145.952
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: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1842.637234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.637234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.017827 (E_RNA)
where:
Base-Base interactions energy: -1215.342
where: short stacking energy: -507.629
Base-Backbone interact. energy: -2.492
local terms energy: -629.183567
where:
bonds (distance) C4'-P energy: -124.296
bonds (distance) P-C4' energy: -147.009
flat angles C4'-P-C4' energy: -128.179
flat angles P-C4'-P energy: -94.088
tors. eta vs tors. theta energy: -135.612
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: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2890.667540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.667540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.747821 (E_RNA)
where:
Base-Base interactions energy: -2017.461
where: short stacking energy: -812.971
Base-Backbone interact. energy: -1.688
local terms energy: -872.598479
where:
bonds (distance) C4'-P energy: -159.649
bonds (distance) P-C4' energy: -168.622
flat angles C4'-P-C4' energy: -193.660
flat angles P-C4'-P energy: -109.983
tors. eta vs tors. theta energy: -240.685
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: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2851.858193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.858193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.463685 (E_RNA)
where:
Base-Base interactions energy: -1987.596
where: short stacking energy: -818.749
Base-Backbone interact. energy: -4.161
local terms energy: -862.706173
where:
bonds (distance) C4'-P energy: -166.661
bonds (distance) P-C4' energy: -150.728
flat angles C4'-P-C4' energy: -186.395
flat angles P-C4'-P energy: -122.735
tors. eta vs tors. theta energy: -236.187
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: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2649.926728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.926728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.373331 (E_RNA)
where:
Base-Base interactions energy: -1828.531
where: short stacking energy: -777.372
Base-Backbone interact. energy: -1.264
local terms energy: -822.578615
where:
bonds (distance) C4'-P energy: -154.022
bonds (distance) P-C4' energy: -154.630
flat angles C4'-P-C4' energy: -166.799
flat angles P-C4'-P energy: -113.135
tors. eta vs tors. theta energy: -233.993
Dist. restrs. and SS energy: 2.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2472.326143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.326143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.584691 (E_RNA)
where:
Base-Base interactions energy: -1675.912
where: short stacking energy: -705.020
Base-Backbone interact. energy: -2.063
local terms energy: -796.610017
where:
bonds (distance) C4'-P energy: -139.242
bonds (distance) P-C4' energy: -154.875
flat angles C4'-P-C4' energy: -170.497
flat angles P-C4'-P energy: -122.135
tors. eta vs tors. theta energy: -209.861
Dist. restrs. and SS energy: 2.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2419.138641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.138641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.429162 (E_RNA)
where:
Base-Base interactions energy: -1639.754
where: short stacking energy: -682.442
Base-Backbone interact. energy: -3.610
local terms energy: -777.065241
where:
bonds (distance) C4'-P energy: -147.364
bonds (distance) P-C4' energy: -139.155
flat angles C4'-P-C4' energy: -179.891
flat angles P-C4'-P energy: -105.775
tors. eta vs tors. theta energy: -204.879
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2258.263806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.263806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.887372 (E_RNA)
where:
Base-Base interactions energy: -1578.224
where: short stacking energy: -663.004
Base-Backbone interact. energy: -2.143
local terms energy: -679.520114
where:
bonds (distance) C4'-P energy: -121.612
bonds (distance) P-C4' energy: -135.705
flat angles C4'-P-C4' energy: -154.055
flat angles P-C4'-P energy: -73.403
tors. eta vs tors. theta energy: -194.745
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2049.848720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.848720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.635626 (E_RNA)
where:
Base-Base interactions energy: -1423.576
where: short stacking energy: -606.665
Base-Backbone interact. energy: 0.583
local terms energy: -628.641999
where:
bonds (distance) C4'-P energy: -118.105
bonds (distance) P-C4' energy: -124.632
flat angles C4'-P-C4' energy: -147.275
flat angles P-C4'-P energy: -93.679
tors. eta vs tors. theta energy: -144.952
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -2027.542066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.542066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.845242 (E_RNA)
where:
Base-Base interactions energy: -1340.271
where: short stacking energy: -594.657
Base-Backbone interact. energy: 2.170
local terms energy: -693.745080
where:
bonds (distance) C4'-P energy: -128.940
bonds (distance) P-C4' energy: -144.024
flat angles C4'-P-C4' energy: -153.921
flat angles P-C4'-P energy: -103.769
tors. eta vs tors. theta energy: -163.091
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: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1960.523016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.523016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.108529 (E_RNA)
where:
Base-Base interactions energy: -1347.304
where: short stacking energy: -563.566
Base-Backbone interact. energy: 0.822
local terms energy: -616.625761
where:
bonds (distance) C4'-P energy: -130.042
bonds (distance) P-C4' energy: -104.231
flat angles C4'-P-C4' energy: -150.073
flat angles P-C4'-P energy: -92.816
tors. eta vs tors. theta energy: -139.464
Dist. restrs. and SS energy: 2.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1888.710797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.710797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.554245 (E_RNA)
where:
Base-Base interactions energy: -1276.293
where: short stacking energy: -530.854
Base-Backbone interact. energy: 4.709
local terms energy: -619.970016
where:
bonds (distance) C4'-P energy: -114.796
bonds (distance) P-C4' energy: -126.492
flat angles C4'-P-C4' energy: -139.308
flat angles P-C4'-P energy: -94.295
tors. eta vs tors. theta energy: -145.079
Dist. restrs. and SS energy: 2.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2864.854283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.854283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.511896 (E_RNA)
where:
Base-Base interactions energy: -1982.038
where: short stacking energy: -837.299
Base-Backbone interact. energy: -2.830
local terms energy: -882.643820
where:
bonds (distance) C4'-P energy: -169.910
bonds (distance) P-C4' energy: -162.062
flat angles C4'-P-C4' energy: -179.517
flat angles P-C4'-P energy: -131.822
tors. eta vs tors. theta energy: -239.333
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: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2845.379997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.379997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.806939 (E_RNA)
where:
Base-Base interactions energy: -2003.840
where: short stacking energy: -817.372
Base-Backbone interact. energy: -2.476
local terms energy: -840.491472
where:
bonds (distance) C4'-P energy: -151.827
bonds (distance) P-C4' energy: -151.274
flat angles C4'-P-C4' energy: -180.296
flat angles P-C4'-P energy: -117.303
tors. eta vs tors. theta energy: -239.792
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: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2661.073503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.073503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.878147 (E_RNA)
where:
Base-Base interactions energy: -1838.352
where: short stacking energy: -787.741
Base-Backbone interact. energy: -2.944
local terms energy: -822.581471
where:
bonds (distance) C4'-P energy: -151.167
bonds (distance) P-C4' energy: -150.543
flat angles C4'-P-C4' energy: -182.140
flat angles P-C4'-P energy: -108.436
tors. eta vs tors. theta energy: -230.296
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2518.948090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.904963 (E_RNA)
where:
Base-Base interactions energy: -1725.304
where: short stacking energy: -739.908
Base-Backbone interact. energy: 0.429
local terms energy: -796.030568
where:
bonds (distance) C4'-P energy: -173.873
bonds (distance) P-C4' energy: -144.810
flat angles C4'-P-C4' energy: -164.076
flat angles P-C4'-P energy: -104.681
tors. eta vs tors. theta energy: -208.590
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2441.656087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.656087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.629670 (E_RNA)
where:
Base-Base interactions energy: -1675.152
where: short stacking energy: -712.756
Base-Backbone interact. energy: 6.434
local terms energy: -774.912088
where:
bonds (distance) C4'-P energy: -140.052
bonds (distance) P-C4' energy: -144.102
flat angles C4'-P-C4' energy: -172.756
flat angles P-C4'-P energy: -114.935
tors. eta vs tors. theta energy: -203.067
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2281.865548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.865548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.020948 (E_RNA)
where:
Base-Base interactions energy: -1541.264
where: short stacking energy: -675.238
Base-Backbone interact. energy: 1.893
local terms energy: -745.650154
where:
bonds (distance) C4'-P energy: -136.660
bonds (distance) P-C4' energy: -145.788
flat angles C4'-P-C4' energy: -171.539
flat angles P-C4'-P energy: -106.699
tors. eta vs tors. theta energy: -184.964
Dist. restrs. and SS energy: 3.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2129.884803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.884803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.937470 (E_RNA)
where:
Base-Base interactions energy: -1450.130
where: short stacking energy: -616.163
Base-Backbone interact. energy: -2.661
local terms energy: -679.146692
where:
bonds (distance) C4'-P energy: -131.241
bonds (distance) P-C4' energy: -135.493
flat angles C4'-P-C4' energy: -152.822
flat angles P-C4'-P energy: -92.935
tors. eta vs tors. theta energy: -166.655
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2018.683924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.683924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.273932 (E_RNA)
where:
Base-Base interactions energy: -1357.891
where: short stacking energy: -562.504
Base-Backbone interact. energy: 1.096
local terms energy: -663.478679
where:
bonds (distance) C4'-P energy: -135.679
bonds (distance) P-C4' energy: -124.884
flat angles C4'-P-C4' energy: -144.911
flat angles P-C4'-P energy: -114.189
tors. eta vs tors. theta energy: -143.816
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1946.290245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.290245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.953382 (E_RNA)
where:
Base-Base interactions energy: -1322.647
where: short stacking energy: -577.035
Base-Backbone interact. energy: -2.521
local terms energy: -625.784567
where:
bonds (distance) C4'-P energy: -124.736
bonds (distance) P-C4' energy: -117.475
flat angles C4'-P-C4' energy: -145.966
flat angles P-C4'-P energy: -92.916
tors. eta vs tors. theta energy: -144.691
Dist. restrs. and SS energy: 4.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1859.015354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.015354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.865029 (E_RNA)
where:
Base-Base interactions energy: -1290.663
where: short stacking energy: -519.400
Base-Backbone interact. energy: -1.865
local terms energy: -569.337267
where:
bonds (distance) C4'-P energy: -108.305
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -141.879
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -141.206
Dist. restrs. and SS energy: 2.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2866.635566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.635566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.583165 (E_RNA)
where:
Base-Base interactions energy: -1992.069
where: short stacking energy: -827.826
Base-Backbone interact. energy: -5.377
local terms energy: -870.136902
where:
bonds (distance) C4'-P energy: -151.563
bonds (distance) P-C4' energy: -165.754
flat angles C4'-P-C4' energy: -187.851
flat angles P-C4'-P energy: -118.935
tors. eta vs tors. theta energy: -246.034
Dist. restrs. and SS energy: 0.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2834.030550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.030550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.960229 (E_RNA)
where:
Base-Base interactions energy: -1984.695
where: short stacking energy: -808.783
Base-Backbone interact. energy: 3.826
local terms energy: -855.091385
where:
bonds (distance) C4'-P energy: -167.713
bonds (distance) P-C4' energy: -159.464
flat angles C4'-P-C4' energy: -183.799
flat angles P-C4'-P energy: -114.511
tors. eta vs tors. theta energy: -229.604
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: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2708.388413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.388413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.047251 (E_RNA)
where:
Base-Base interactions energy: -1869.707
where: short stacking energy: -796.146
Base-Backbone interact. energy: -4.485
local terms energy: -837.855287
where:
bonds (distance) C4'-P energy: -153.628
bonds (distance) P-C4' energy: -147.169
flat angles C4'-P-C4' energy: -181.728
flat angles P-C4'-P energy: -125.283
tors. eta vs tors. theta energy: -230.047
Dist. restrs. and SS energy: 3.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2496.781480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.781480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.615629 (E_RNA)
where:
Base-Base interactions energy: -1692.395
where: short stacking energy: -714.013
Base-Backbone interact. energy: 0.335
local terms energy: -807.555129
where:
bonds (distance) C4'-P energy: -138.642
bonds (distance) P-C4' energy: -163.973
flat angles C4'-P-C4' energy: -174.805
flat angles P-C4'-P energy: -117.997
tors. eta vs tors. theta energy: -212.138
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: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2462.414508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.414508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.946510 (E_RNA)
where:
Base-Base interactions energy: -1670.612
where: short stacking energy: -710.681
Base-Backbone interact. energy: -5.226
local terms energy: -790.107978
where:
bonds (distance) C4'-P energy: -144.453
bonds (distance) P-C4' energy: -156.266
flat angles C4'-P-C4' energy: -170.593
flat angles P-C4'-P energy: -112.005
tors. eta vs tors. theta energy: -206.791
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2272.376311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.376311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.894406 (E_RNA)
where:
Base-Base interactions energy: -1583.500
where: short stacking energy: -690.436
Base-Backbone interact. energy: -3.155
local terms energy: -688.238769
where:
bonds (distance) C4'-P energy: -120.122
bonds (distance) P-C4' energy: -143.712
flat angles C4'-P-C4' energy: -155.679
flat angles P-C4'-P energy: -90.653
tors. eta vs tors. theta energy: -178.074
Dist. restrs. and SS energy: 2.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2166.432709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.432709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.758919 (E_RNA)
where:
Base-Base interactions energy: -1444.442
where: short stacking energy: -631.975
Base-Backbone interact. energy: -6.793
local terms energy: -718.523565
where:
bonds (distance) C4'-P energy: -140.698
bonds (distance) P-C4' energy: -152.108
flat angles C4'-P-C4' energy: -150.468
flat angles P-C4'-P energy: -111.929
tors. eta vs tors. theta energy: -163.320
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: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2018.489787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.489787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.940170 (E_RNA)
where:
Base-Base interactions energy: -1372.587
where: short stacking energy: -598.518
Base-Backbone interact. energy: -2.716
local terms energy: -645.637564
where:
bonds (distance) C4'-P energy: -122.919
bonds (distance) P-C4' energy: -127.507
flat angles C4'-P-C4' energy: -146.899
flat angles P-C4'-P energy: -89.443
tors. eta vs tors. theta energy: -158.869
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1914.158860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.158860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.482372 (E_RNA)
where:
Base-Base interactions energy: -1315.721
where: short stacking energy: -527.181
Base-Backbone interact. energy: -0.500
local terms energy: -599.261329
where:
bonds (distance) C4'-P energy: -112.854
bonds (distance) P-C4' energy: -154.975
flat angles C4'-P-C4' energy: -125.885
flat angles P-C4'-P energy: -88.715
tors. eta vs tors. theta energy: -116.833
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1864.218842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.218842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.196162 (E_RNA)
where:
Base-Base interactions energy: -1294.748
where: short stacking energy: -541.406
Base-Backbone interact. energy: -0.555
local terms energy: -571.892884
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -114.634
flat angles C4'-P-C4' energy: -127.525
flat angles P-C4'-P energy: -82.100
tors. eta vs tors. theta energy: -140.411
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: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2916.556679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.556679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.633024 (E_RNA)
where:
Base-Base interactions energy: -2021.027
where: short stacking energy: -863.244
Base-Backbone interact. energy: -3.896
local terms energy: -892.710182
where:
bonds (distance) C4'-P energy: -171.244
bonds (distance) P-C4' energy: -151.806
flat angles C4'-P-C4' energy: -186.438
flat angles P-C4'-P energy: -134.138
tors. eta vs tors. theta energy: -249.085
Dist. restrs. and SS energy: 1.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2843.029657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.029657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.501224 (E_RNA)
where:
Base-Base interactions energy: -1988.666
where: short stacking energy: -803.149
Base-Backbone interact. energy: -1.711
local terms energy: -854.124626
where:
bonds (distance) C4'-P energy: -158.212
bonds (distance) P-C4' energy: -169.399
flat angles C4'-P-C4' energy: -180.877
flat angles P-C4'-P energy: -117.708
tors. eta vs tors. theta energy: -227.929
Dist. restrs. and SS energy: 1.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2700.180497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.180497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.842318 (E_RNA)
where:
Base-Base interactions energy: -1865.923
where: short stacking energy: -743.053
Base-Backbone interact. energy: -2.177
local terms energy: -833.743025
where:
bonds (distance) C4'-P energy: -147.027
bonds (distance) P-C4' energy: -163.135
flat angles C4'-P-C4' energy: -178.565
flat angles P-C4'-P energy: -124.531
tors. eta vs tors. theta energy: -220.485
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: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2590.451720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.451720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.675388 (E_RNA)
where:
Base-Base interactions energy: -1778.639
where: short stacking energy: -734.744
Base-Backbone interact. energy: -0.174
local terms energy: -813.862129
where:
bonds (distance) C4'-P energy: -152.463
bonds (distance) P-C4' energy: -160.465
flat angles C4'-P-C4' energy: -176.962
flat angles P-C4'-P energy: -103.066
tors. eta vs tors. theta energy: -220.906
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2422.227532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.227532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.068195 (E_RNA)
where:
Base-Base interactions energy: -1663.091
where: short stacking energy: -710.356
Base-Backbone interact. energy: -1.661
local terms energy: -759.315431
where:
bonds (distance) C4'-P energy: -136.316
bonds (distance) P-C4' energy: -158.986
flat angles C4'-P-C4' energy: -155.329
flat angles P-C4'-P energy: -109.125
tors. eta vs tors. theta energy: -199.560
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: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2250.550972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.550972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.222036 (E_RNA)
where:
Base-Base interactions energy: -1540.893
where: short stacking energy: -619.646
Base-Backbone interact. energy: -6.166
local terms energy: -705.162771
where:
bonds (distance) C4'-P energy: -135.704
bonds (distance) P-C4' energy: -137.689
flat angles C4'-P-C4' energy: -145.296
flat angles P-C4'-P energy: -109.020
tors. eta vs tors. theta energy: -177.453
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2106.396938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.396938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.415650 (E_RNA)
where:
Base-Base interactions energy: -1452.632
where: short stacking energy: -623.660
Base-Backbone interact. energy: 3.346
local terms energy: -660.129629
where:
bonds (distance) C4'-P energy: -139.121
bonds (distance) P-C4' energy: -140.623
flat angles C4'-P-C4' energy: -143.346
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -160.334
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: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -2062.633913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.633913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.187722 (E_RNA)
where:
Base-Base interactions energy: -1394.040
where: short stacking energy: -599.955
Base-Backbone interact. energy: -1.197
local terms energy: -668.949938
where:
bonds (distance) C4'-P energy: -115.569
bonds (distance) P-C4' energy: -132.553
flat angles C4'-P-C4' energy: -150.661
flat angles P-C4'-P energy: -103.087
tors. eta vs tors. theta energy: -167.079
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: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1931.038954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.038954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.092985 (E_RNA)
where:
Base-Base interactions energy: -1318.348
where: short stacking energy: -567.219
Base-Backbone interact. energy: 3.625
local terms energy: -618.370364
where:
bonds (distance) C4'-P energy: -127.255
bonds (distance) P-C4' energy: -114.877
flat angles C4'-P-C4' energy: -136.072
flat angles P-C4'-P energy: -93.015
tors. eta vs tors. theta energy: -147.151
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: 348
Temperature: 1.350000
Total energy: -1828.052943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.052943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.095340 (E_RNA)
where:
Base-Base interactions energy: -1272.397
where: short stacking energy: -507.031
Base-Backbone interact. energy: -1.706
local terms energy: -556.992720
where:
bonds (distance) C4'-P energy: -100.750
bonds (distance) P-C4' energy: -119.194
flat angles C4'-P-C4' energy: -129.010
flat angles P-C4'-P energy: -93.433
tors. eta vs tors. theta energy: -114.605
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: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2896.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.514036 (E_RNA)
where:
Base-Base interactions energy: -2000.342
where: short stacking energy: -840.715
Base-Backbone interact. energy: -4.627
local terms energy: -892.544712
where:
bonds (distance) C4'-P energy: -161.812
bonds (distance) P-C4' energy: -172.541
flat angles C4'-P-C4' energy: -184.216
flat angles P-C4'-P energy: -127.081
tors. eta vs tors. theta energy: -246.894
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: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2813.927330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.927330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.005512 (E_RNA)
where:
Base-Base interactions energy: -1981.382
where: short stacking energy: -818.103
Base-Backbone interact. energy: 4.781
local terms energy: -839.405174
where:
bonds (distance) C4'-P energy: -152.356
bonds (distance) P-C4' energy: -156.659
flat angles C4'-P-C4' energy: -180.638
flat angles P-C4'-P energy: -112.561
tors. eta vs tors. theta energy: -237.192
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: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2689.832730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.832730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.447101 (E_RNA)
where:
Base-Base interactions energy: -1860.797
where: short stacking energy: -779.273
Base-Backbone interact. energy: 0.118
local terms energy: -831.768590
where:
bonds (distance) C4'-P energy: -158.239
bonds (distance) P-C4' energy: -149.953
flat angles C4'-P-C4' energy: -173.788
flat angles P-C4'-P energy: -117.460
tors. eta vs tors. theta energy: -232.329
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: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2541.542407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.542407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.548549 (E_RNA)
where:
Base-Base interactions energy: -1765.133
where: short stacking energy: -706.395
Base-Backbone interact. energy: -2.944
local terms energy: -775.471855
where:
bonds (distance) C4'-P energy: -142.943
bonds (distance) P-C4' energy: -145.902
flat angles C4'-P-C4' energy: -163.720
flat angles P-C4'-P energy: -124.763
tors. eta vs tors. theta energy: -198.144
Dist. restrs. and SS energy: 2.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2444.150771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.150771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.407855 (E_RNA)
where:
Base-Base interactions energy: -1658.755
where: short stacking energy: -710.523
Base-Backbone interact. energy: -1.437
local terms energy: -785.215925
where:
bonds (distance) C4'-P energy: -153.119
bonds (distance) P-C4' energy: -151.101
flat angles C4'-P-C4' energy: -164.994
flat angles P-C4'-P energy: -103.543
tors. eta vs tors. theta energy: -212.459
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: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2236.283227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.283227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.254400 (E_RNA)
where:
Base-Base interactions energy: -1489.991
where: short stacking energy: -631.840
Base-Backbone interact. energy: 7.544
local terms energy: -755.807252
where:
bonds (distance) C4'-P energy: -140.509
bonds (distance) P-C4' energy: -144.703
flat angles C4'-P-C4' energy: -184.901
flat angles P-C4'-P energy: -109.488
tors. eta vs tors. theta energy: -176.206
Dist. restrs. and SS energy: 1.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2138.934948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.934948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.279374 (E_RNA)
where:
Base-Base interactions energy: -1443.602
where: short stacking energy: -626.457
Base-Backbone interact. energy: 1.470
local terms energy: -700.147732
where:
bonds (distance) C4'-P energy: -140.483
bonds (distance) P-C4' energy: -133.465
flat angles C4'-P-C4' energy: -147.994
flat angles P-C4'-P energy: -107.904
tors. eta vs tors. theta energy: -170.301
Dist. restrs. and SS energy: 3.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2034.839638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.839638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.636693 (E_RNA)
where:
Base-Base interactions energy: -1375.049
where: short stacking energy: -558.222
Base-Backbone interact. energy: -0.964
local terms energy: -660.623378
where:
bonds (distance) C4'-P energy: -118.430
bonds (distance) P-C4' energy: -160.891
flat angles C4'-P-C4' energy: -144.784
flat angles P-C4'-P energy: -80.707
tors. eta vs tors. theta energy: -155.810
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: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1943.419622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.419622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.384652 (E_RNA)
where:
Base-Base interactions energy: -1348.540
where: short stacking energy: -559.261
Base-Backbone interact. energy: -2.494
local terms energy: -594.349952
where:
bonds (distance) C4'-P energy: -121.350
bonds (distance) P-C4' energy: -97.126
flat angles C4'-P-C4' energy: -133.665
flat angles P-C4'-P energy: -84.794
tors. eta vs tors. theta energy: -157.415
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: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1825.566120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.566120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.496979 (E_RNA)
where:
Base-Base interactions energy: -1219.933
where: short stacking energy: -518.061
Base-Backbone interact. energy: -3.542
local terms energy: -607.022820
where:
bonds (distance) C4'-P energy: -122.983
bonds (distance) P-C4' energy: -149.322
flat angles C4'-P-C4' energy: -140.956
flat angles P-C4'-P energy: -65.338
tors. eta vs tors. theta energy: -128.424
Dist. restrs. and SS energy: 4.931 (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: 350
Temperature: 0.900000
Total energy: -2926.267230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.267230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.223501 (E_RNA)
where:
Base-Base interactions energy: -2065.063
where: short stacking energy: -852.284
Base-Backbone interact. energy: -1.258
local terms energy: -860.901995
where:
bonds (distance) C4'-P energy: -143.103
bonds (distance) P-C4' energy: -163.877
flat angles C4'-P-C4' energy: -189.573
flat angles P-C4'-P energy: -119.857
tors. eta vs tors. theta energy: -244.492
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: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2828.906565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.906565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.437921 (E_RNA)
where:
Base-Base interactions energy: -1979.842
where: short stacking energy: -821.379
Base-Backbone interact. energy: -2.140
local terms energy: -848.455739
where:
bonds (distance) C4'-P energy: -163.173
bonds (distance) P-C4' energy: -144.540
flat angles C4'-P-C4' energy: -184.984
flat angles P-C4'-P energy: -114.684
tors. eta vs tors. theta energy: -241.075
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2701.350843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.350843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.872925 (E_RNA)
where:
Base-Base interactions energy: -1870.643
where: short stacking energy: -778.239
Base-Backbone interact. energy: -2.859
local terms energy: -830.370919
where:
bonds (distance) C4'-P energy: -142.856
bonds (distance) P-C4' energy: -165.436
flat angles C4'-P-C4' energy: -173.614
flat angles P-C4'-P energy: -118.621
tors. eta vs tors. theta energy: -229.844
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2521.053474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.053474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.382879 (E_RNA)
where:
Base-Base interactions energy: -1738.345
where: short stacking energy: -709.269
Base-Backbone interact. energy: -0.602
local terms energy: -784.436126
where:
bonds (distance) C4'-P energy: -138.315
bonds (distance) P-C4' energy: -146.901
flat angles C4'-P-C4' energy: -178.406
flat angles P-C4'-P energy: -114.090
tors. eta vs tors. theta energy: -206.725
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: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2347.510050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.510050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.865188 (E_RNA)
where:
Base-Base interactions energy: -1603.431
where: short stacking energy: -681.851
Base-Backbone interact. energy: 0.569
local terms energy: -746.002745
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -154.242
flat angles C4'-P-C4' energy: -174.988
flat angles P-C4'-P energy: -99.827
tors. eta vs tors. theta energy: -204.908
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: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2278.237962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.237962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.278103 (E_RNA)
where:
Base-Base interactions energy: -1556.570
where: short stacking energy: -665.313
Base-Backbone interact. energy: 1.724
local terms energy: -726.432354
where:
bonds (distance) C4'-P energy: -133.662
bonds (distance) P-C4' energy: -134.310
flat angles C4'-P-C4' energy: -175.640
flat angles P-C4'-P energy: -101.264
tors. eta vs tors. theta energy: -181.556
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: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2094.133288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.133288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.328927 (E_RNA)
where:
Base-Base interactions energy: -1384.756
where: short stacking energy: -601.460
Base-Backbone interact. energy: -0.761
local terms energy: -711.811510
where:
bonds (distance) C4'-P energy: -157.235
bonds (distance) P-C4' energy: -145.099
flat angles C4'-P-C4' energy: -152.500
flat angles P-C4'-P energy: -96.936
tors. eta vs tors. theta energy: -160.041
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1996.696670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.696670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.635889 (E_RNA)
where:
Base-Base interactions energy: -1367.668
where: short stacking energy: -584.708
Base-Backbone interact. energy: 3.818
local terms energy: -636.785591
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -133.360
flat angles C4'-P-C4' energy: -151.176
flat angles P-C4'-P energy: -86.457
tors. eta vs tors. theta energy: -153.201
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1889.624123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.624123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.730145 (E_RNA)
where:
Base-Base interactions energy: -1253.963
where: short stacking energy: -486.996
Base-Backbone interact. energy: -0.860
local terms energy: -636.907006
where:
bonds (distance) C4'-P energy: -132.308
bonds (distance) P-C4' energy: -133.596
flat angles C4'-P-C4' energy: -158.117
flat angles P-C4'-P energy: -79.444
tors. eta vs tors. theta energy: -133.443
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: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1821.530866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.530866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.758203 (E_RNA)
where:
Base-Base interactions energy: -1235.912
where: short stacking energy: -508.187
Base-Backbone interact. energy: 2.019
local terms energy: -598.865177
where:
bonds (distance) C4'-P energy: -130.137
bonds (distance) P-C4' energy: -132.548
flat angles C4'-P-C4' energy: -144.040
flat angles P-C4'-P energy: -69.678
tors. eta vs tors. theta energy: -122.462
Dist. restrs. and SS energy: 11.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2918.546400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.546400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.572473 (E_RNA)
where:
Base-Base interactions energy: -2045.701
where: short stacking energy: -833.560
Base-Backbone interact. energy: -3.597
local terms energy: -870.274707
where:
bonds (distance) C4'-P energy: -158.828
bonds (distance) P-C4' energy: -158.557
flat angles C4'-P-C4' energy: -189.035
flat angles P-C4'-P energy: -112.809
tors. eta vs tors. theta energy: -251.046
Dist. restrs. and SS energy: 1.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2802.021204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.021204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.202787 (E_RNA)
where:
Base-Base interactions energy: -1954.496
where: short stacking energy: -793.721
Base-Backbone interact. energy: -4.898
local terms energy: -844.809339
where:
bonds (distance) C4'-P energy: -143.399
bonds (distance) P-C4' energy: -149.263
flat angles C4'-P-C4' energy: -190.660
flat angles P-C4'-P energy: -122.840
tors. eta vs tors. theta energy: -238.648
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: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2711.281200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.281200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.587200 (E_RNA)
where:
Base-Base interactions energy: -1879.579
where: short stacking energy: -775.430
Base-Backbone interact. energy: 2.403
local terms energy: -837.411945
where:
bonds (distance) C4'-P energy: -154.046
bonds (distance) P-C4' energy: -153.413
flat angles C4'-P-C4' energy: -170.524
flat angles P-C4'-P energy: -117.057
tors. eta vs tors. theta energy: -242.373
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2517.504318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.504318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.315141 (E_RNA)
where:
Base-Base interactions energy: -1737.148
where: short stacking energy: -735.224
Base-Backbone interact. energy: -5.950
local terms energy: -777.217498
where:
bonds (distance) C4'-P energy: -147.582
bonds (distance) P-C4' energy: -145.141
flat angles C4'-P-C4' energy: -160.764
flat angles P-C4'-P energy: -121.262
tors. eta vs tors. theta energy: -202.468
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: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2417.866191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.866191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.778327 (E_RNA)
where:
Base-Base interactions energy: -1649.152
where: short stacking energy: -703.515
Base-Backbone interact. energy: -3.521
local terms energy: -768.105410
where:
bonds (distance) C4'-P energy: -153.240
bonds (distance) P-C4' energy: -141.799
flat angles C4'-P-C4' energy: -160.345
flat angles P-C4'-P energy: -100.696
tors. eta vs tors. theta energy: -212.025
Dist. restrs. and SS energy: 2.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2284.955997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.955997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.989180 (E_RNA)
where:
Base-Base interactions energy: -1551.714
where: short stacking energy: -670.686
Base-Backbone interact. energy: -2.135
local terms energy: -734.140200
where:
bonds (distance) C4'-P energy: -142.329
bonds (distance) P-C4' energy: -135.024
flat angles C4'-P-C4' energy: -158.401
flat angles P-C4'-P energy: -106.381
tors. eta vs tors. theta energy: -192.005
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2143.033385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.033385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.448929 (E_RNA)
where:
Base-Base interactions energy: -1465.194
where: short stacking energy: -612.389
Base-Backbone interact. energy: 0.111
local terms energy: -682.366072
where:
bonds (distance) C4'-P energy: -128.803
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -146.775
flat angles P-C4'-P energy: -95.974
tors. eta vs tors. theta energy: -169.395
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2044.230065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.230065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.590754 (E_RNA)
where:
Base-Base interactions energy: -1369.789
where: short stacking energy: -587.105
Base-Backbone interact. energy: 4.157
local terms energy: -679.958345
where:
bonds (distance) C4'-P energy: -133.211
bonds (distance) P-C4' energy: -165.490
flat angles C4'-P-C4' energy: -145.890
flat angles P-C4'-P energy: -91.425
tors. eta vs tors. theta energy: -143.942
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1893.165641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.165641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.698235 (E_RNA)
where:
Base-Base interactions energy: -1300.483
where: short stacking energy: -561.798
Base-Backbone interact. energy: -2.519
local terms energy: -593.696089
where:
bonds (distance) C4'-P energy: -127.523
bonds (distance) P-C4' energy: -122.441
flat angles C4'-P-C4' energy: -135.081
flat angles P-C4'-P energy: -79.089
tors. eta vs tors. theta energy: -129.561
Dist. restrs. and SS energy: 3.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1833.856813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.856813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.263558 (E_RNA)
where:
Base-Base interactions energy: -1241.374
where: short stacking energy: -517.949
Base-Backbone interact. energy: 0.399
local terms energy: -596.288210
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -135.494
flat angles C4'-P-C4' energy: -131.249
flat angles P-C4'-P energy: -79.592
tors. eta vs tors. theta energy: -136.000
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: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2920.725939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.725939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.078537 (E_RNA)
where:
Base-Base interactions energy: -2048.624
where: short stacking energy: -861.477
Base-Backbone interact. energy: -3.885
local terms energy: -869.568830
where:
bonds (distance) C4'-P energy: -158.815
bonds (distance) P-C4' energy: -154.876
flat angles C4'-P-C4' energy: -187.783
flat angles P-C4'-P energy: -119.468
tors. eta vs tors. theta energy: -248.627
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2831.120683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.120683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.934724 (E_RNA)
where:
Base-Base interactions energy: -1971.794
where: short stacking energy: -822.609
Base-Backbone interact. energy: -2.598
local terms energy: -858.542876
where:
bonds (distance) C4'-P energy: -158.326
bonds (distance) P-C4' energy: -164.224
flat angles C4'-P-C4' energy: -159.711
flat angles P-C4'-P energy: -122.411
tors. eta vs tors. theta energy: -253.870
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2710.384817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.384817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.318960 (E_RNA)
where:
Base-Base interactions energy: -1880.778
where: short stacking energy: -762.597
Base-Backbone interact. energy: 1.487
local terms energy: -833.028182
where:
bonds (distance) C4'-P energy: -140.789
bonds (distance) P-C4' energy: -157.269
flat angles C4'-P-C4' energy: -181.925
flat angles P-C4'-P energy: -129.630
tors. eta vs tors. theta energy: -223.415
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2578.617961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.617961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.699492 (E_RNA)
where:
Base-Base interactions energy: -1790.669
where: short stacking energy: -732.307
Base-Backbone interact. energy: -3.006
local terms energy: -787.024341
where:
bonds (distance) C4'-P energy: -140.504
bonds (distance) P-C4' energy: -142.901
flat angles C4'-P-C4' energy: -171.090
flat angles P-C4'-P energy: -120.747
tors. eta vs tors. theta energy: -211.782
Dist. restrs. and SS energy: 2.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2397.331248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.331248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.295950 (E_RNA)
where:
Base-Base interactions energy: -1607.662
where: short stacking energy: -705.679
Base-Backbone interact. energy: -2.736
local terms energy: -788.897438
where:
bonds (distance) C4'-P energy: -147.622
bonds (distance) P-C4' energy: -153.663
flat angles C4'-P-C4' energy: -169.511
flat angles P-C4'-P energy: -104.844
tors. eta vs tors. theta energy: -213.257
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2259.642701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.642701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.213519 (E_RNA)
where:
Base-Base interactions energy: -1530.095
where: short stacking energy: -653.799
Base-Backbone interact. energy: -3.644
local terms energy: -727.474626
where:
bonds (distance) C4'-P energy: -135.207
bonds (distance) P-C4' energy: -150.040
flat angles C4'-P-C4' energy: -166.552
flat angles P-C4'-P energy: -94.000
tors. eta vs tors. theta energy: -181.676
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: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2099.161322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.161322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.872424 (E_RNA)
where:
Base-Base interactions energy: -1423.837
where: short stacking energy: -619.437
Base-Backbone interact. energy: 5.842
local terms energy: -682.876628
where:
bonds (distance) C4'-P energy: -117.553
bonds (distance) P-C4' energy: -133.212
flat angles C4'-P-C4' energy: -154.064
flat angles P-C4'-P energy: -109.725
tors. eta vs tors. theta energy: -168.322
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: 352
Temperature: 1.250000
Total energy: -2089.295842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.295842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.601416 (E_RNA)
where:
Base-Base interactions energy: -1447.838
where: short stacking energy: -623.460
Base-Backbone interact. energy: -1.733
local terms energy: -643.030522
where:
bonds (distance) C4'-P energy: -113.222
bonds (distance) P-C4' energy: -114.331
flat angles C4'-P-C4' energy: -138.681
flat angles P-C4'-P energy: -104.733
tors. eta vs tors. theta energy: -172.063
Dist. restrs. and SS energy: 3.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1926.074556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.074556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.376149 (E_RNA)
where:
Base-Base interactions energy: -1323.451
where: short stacking energy: -555.545
Base-Backbone interact. energy: -1.439
local terms energy: -604.486043
where:
bonds (distance) C4'-P energy: -119.747
bonds (distance) P-C4' energy: -111.884
flat angles C4'-P-C4' energy: -142.063
flat angles P-C4'-P energy: -93.324
tors. eta vs tors. theta energy: -137.468
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: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1833.427101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.427101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.985615 (E_RNA)
where:
Base-Base interactions energy: -1225.707
where: short stacking energy: -491.975
Base-Backbone interact. energy: -0.514
local terms energy: -611.764681
where:
bonds (distance) C4'-P energy: -111.109
bonds (distance) P-C4' energy: -134.027
flat angles C4'-P-C4' energy: -147.254
flat angles P-C4'-P energy: -93.667
tors. eta vs tors. theta energy: -125.708
Dist. restrs. and SS energy: 4.559 (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: 353
Temperature: 0.900000
Total energy: -2897.085614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.085614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.194932 (E_RNA)
where:
Base-Base interactions energy: -2026.173
where: short stacking energy: -824.699
Base-Backbone interact. energy: -2.812
local terms energy: -870.210733
where:
bonds (distance) C4'-P energy: -164.018
bonds (distance) P-C4' energy: -173.850
flat angles C4'-P-C4' energy: -180.349
flat angles P-C4'-P energy: -121.354
tors. eta vs tors. theta energy: -230.640
Dist. restrs. and SS energy: 2.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2803.662725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.662725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.655403 (E_RNA)
where:
Base-Base interactions energy: -1962.652
where: short stacking energy: -817.146
Base-Backbone interact. energy: 0.435
local terms energy: -842.438291
where:
bonds (distance) C4'-P energy: -160.439
bonds (distance) P-C4' energy: -155.894
flat angles C4'-P-C4' energy: -180.858
flat angles P-C4'-P energy: -109.932
tors. eta vs tors. theta energy: -235.315
Dist. restrs. and SS energy: 0.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2695.043107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.043107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.604016 (E_RNA)
where:
Base-Base interactions energy: -1859.746
where: short stacking energy: -767.183
Base-Backbone interact. energy: -2.242
local terms energy: -834.615912
where:
bonds (distance) C4'-P energy: -143.212
bonds (distance) P-C4' energy: -172.757
flat angles C4'-P-C4' energy: -179.578
flat angles P-C4'-P energy: -119.358
tors. eta vs tors. theta energy: -219.711
Dist. restrs. and SS energy: 1.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2547.264955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.264955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.378703 (E_RNA)
where:
Base-Base interactions energy: -1756.679
where: short stacking energy: -738.224
Base-Backbone interact. energy: 0.045
local terms energy: -792.744674
where:
bonds (distance) C4'-P energy: -139.579
bonds (distance) P-C4' energy: -157.427
flat angles C4'-P-C4' energy: -176.422
flat angles P-C4'-P energy: -110.636
tors. eta vs tors. theta energy: -208.681
Dist. restrs. and SS energy: 2.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2439.071082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.071082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.919468 (E_RNA)
where:
Base-Base interactions energy: -1667.391
where: short stacking energy: -704.763
Base-Backbone interact. energy: -1.626
local terms energy: -771.902638
where:
bonds (distance) C4'-P energy: -132.550
bonds (distance) P-C4' energy: -159.604
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -99.886
tors. eta vs tors. theta energy: -215.397
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: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2292.465440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.465440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.297108 (E_RNA)
where:
Base-Base interactions energy: -1570.112
where: short stacking energy: -661.332
Base-Backbone interact. energy: 4.131
local terms energy: -728.315913
where:
bonds (distance) C4'-P energy: -133.060
bonds (distance) P-C4' energy: -140.088
flat angles C4'-P-C4' energy: -161.544
flat angles P-C4'-P energy: -106.015
tors. eta vs tors. theta energy: -187.609
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: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2064.071955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.071955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.730552 (E_RNA)
where:
Base-Base interactions energy: -1363.553
where: short stacking energy: -594.854
Base-Backbone interact. energy: 0.584
local terms energy: -704.761686
where:
bonds (distance) C4'-P energy: -150.154
bonds (distance) P-C4' energy: -150.346
flat angles C4'-P-C4' energy: -167.816
flat angles P-C4'-P energy: -77.473
tors. eta vs tors. theta energy: -158.973
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: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2008.519979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.519979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.150174 (E_RNA)
where:
Base-Base interactions energy: -1345.701
where: short stacking energy: -545.877
Base-Backbone interact. energy: 8.438
local terms energy: -673.887229
where:
bonds (distance) C4'-P energy: -155.178
bonds (distance) P-C4' energy: -129.059
flat angles C4'-P-C4' energy: -143.031
flat angles P-C4'-P energy: -100.476
tors. eta vs tors. theta energy: -146.145
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1896.414021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.414021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.687326 (E_RNA)
where:
Base-Base interactions energy: -1302.123
where: short stacking energy: -541.319
Base-Backbone interact. energy: 3.242
local terms energy: -601.806378
where:
bonds (distance) C4'-P energy: -112.554
bonds (distance) P-C4' energy: -126.999
flat angles C4'-P-C4' energy: -146.881
flat angles P-C4'-P energy: -77.961
tors. eta vs tors. theta energy: -137.412
Dist. restrs. and SS energy: 4.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1824.931577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.931577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.499739 (E_RNA)
where:
Base-Base interactions energy: -1264.492
where: short stacking energy: -547.537
Base-Backbone interact. energy: 8.048
local terms energy: -573.055778
where:
bonds (distance) C4'-P energy: -119.879
bonds (distance) P-C4' energy: -126.168
flat angles C4'-P-C4' energy: -129.882
flat angles P-C4'-P energy: -62.846
tors. eta vs tors. theta energy: -134.281
Dist. restrs. and SS energy: 4.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2867.786662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.786662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.236821 (E_RNA)
where:
Base-Base interactions energy: -2012.993
where: short stacking energy: -812.496
Base-Backbone interact. energy: -2.210
local terms energy: -854.033725
where:
bonds (distance) C4'-P energy: -161.130
bonds (distance) P-C4' energy: -152.787
flat angles C4'-P-C4' energy: -197.705
flat angles P-C4'-P energy: -112.010
tors. eta vs tors. theta energy: -230.402
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2784.346208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.346208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.579518 (E_RNA)
where:
Base-Base interactions energy: -1918.834
where: short stacking energy: -811.954
Base-Backbone interact. energy: -2.186
local terms energy: -865.559319
where:
bonds (distance) C4'-P energy: -148.113
bonds (distance) P-C4' energy: -170.271
flat angles C4'-P-C4' energy: -192.395
flat angles P-C4'-P energy: -111.277
tors. eta vs tors. theta energy: -243.504
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: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2722.078021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.078021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.968210 (E_RNA)
where:
Base-Base interactions energy: -1850.997
where: short stacking energy: -779.605
Base-Backbone interact. energy: -5.164
local terms energy: -867.807083
where:
bonds (distance) C4'-P energy: -163.097
bonds (distance) P-C4' energy: -167.789
flat angles C4'-P-C4' energy: -180.627
flat angles P-C4'-P energy: -128.844
tors. eta vs tors. theta energy: -227.451
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: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2586.915554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.915554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.359993 (E_RNA)
where:
Base-Base interactions energy: -1811.357
where: short stacking energy: -739.261
Base-Backbone interact. energy: 7.194
local terms energy: -784.197028
where:
bonds (distance) C4'-P energy: -145.722
bonds (distance) P-C4' energy: -150.732
flat angles C4'-P-C4' energy: -178.165
flat angles P-C4'-P energy: -98.000
tors. eta vs tors. theta energy: -211.578
Dist. restrs. and SS energy: 1.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2408.601562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.601562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.924360 (E_RNA)
where:
Base-Base interactions energy: -1644.308
where: short stacking energy: -701.228
Base-Backbone interact. energy: 5.641
local terms energy: -773.257303
where:
bonds (distance) C4'-P energy: -143.336
bonds (distance) P-C4' energy: -159.830
flat angles C4'-P-C4' energy: -160.421
flat angles P-C4'-P energy: -103.088
tors. eta vs tors. theta energy: -206.581
Dist. restrs. and SS energy: 3.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2295.394653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.394653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.688653 (E_RNA)
where:
Base-Base interactions energy: -1569.645
where: short stacking energy: -670.345
Base-Backbone interact. energy: 3.780
local terms energy: -731.823250
where:
bonds (distance) C4'-P energy: -137.620
bonds (distance) P-C4' energy: -138.791
flat angles C4'-P-C4' energy: -168.945
flat angles P-C4'-P energy: -92.732
tors. eta vs tors. theta energy: -193.736
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: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2117.643092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.643092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.865182 (E_RNA)
where:
Base-Base interactions energy: -1451.473
where: short stacking energy: -623.950
Base-Backbone interact. energy: -3.937
local terms energy: -665.455116
where:
bonds (distance) C4'-P energy: -110.943
bonds (distance) P-C4' energy: -143.084
flat angles C4'-P-C4' energy: -154.116
flat angles P-C4'-P energy: -94.774
tors. eta vs tors. theta energy: -162.537
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2019.336447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.336447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.614605 (E_RNA)
where:
Base-Base interactions energy: -1381.403
where: short stacking energy: -594.926
Base-Backbone interact. energy: -2.523
local terms energy: -637.688295
where:
bonds (distance) C4'-P energy: -131.894
bonds (distance) P-C4' energy: -119.354
flat angles C4'-P-C4' energy: -152.246
flat angles P-C4'-P energy: -91.411
tors. eta vs tors. theta energy: -142.782
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1965.850527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.850527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.937564 (E_RNA)
where:
Base-Base interactions energy: -1359.310
where: short stacking energy: -570.485
Base-Backbone interact. energy: 7.331
local terms energy: -618.958002
where:
bonds (distance) C4'-P energy: -116.609
bonds (distance) P-C4' energy: -118.867
flat angles C4'-P-C4' energy: -132.403
flat angles P-C4'-P energy: -107.661
tors. eta vs tors. theta energy: -143.418
Dist. restrs. and SS energy: 5.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1830.346222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.346222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.619019 (E_RNA)
where:
Base-Base interactions energy: -1261.704
where: short stacking energy: -513.870
Base-Backbone interact. energy: -1.468
local terms energy: -572.446818
where:
bonds (distance) C4'-P energy: -109.036
bonds (distance) P-C4' energy: -128.364
flat angles C4'-P-C4' energy: -140.551
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -124.514
Dist. restrs. and SS energy: 5.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2903.490082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.490082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.719593 (E_RNA)
where:
Base-Base interactions energy: -2006.649
where: short stacking energy: -798.052
Base-Backbone interact. energy: -3.248
local terms energy: -895.822743
where:
bonds (distance) C4'-P energy: -162.542
bonds (distance) P-C4' energy: -174.544
flat angles C4'-P-C4' energy: -191.741
flat angles P-C4'-P energy: -129.483
tors. eta vs tors. theta energy: -237.514
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2799.129321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.129321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.072307 (E_RNA)
where:
Base-Base interactions energy: -1935.814
where: short stacking energy: -777.740
Base-Backbone interact. energy: -2.010
local terms energy: -863.248319
where:
bonds (distance) C4'-P energy: -161.343
bonds (distance) P-C4' energy: -164.327
flat angles C4'-P-C4' energy: -190.801
flat angles P-C4'-P energy: -120.896
tors. eta vs tors. theta energy: -225.881
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: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2738.872193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.872193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.593245 (E_RNA)
where:
Base-Base interactions energy: -1894.539
where: short stacking energy: -786.140
Base-Backbone interact. energy: -3.000
local terms energy: -843.054746
where:
bonds (distance) C4'-P energy: -170.519
bonds (distance) P-C4' energy: -146.861
flat angles C4'-P-C4' energy: -179.776
flat angles P-C4'-P energy: -109.977
tors. eta vs tors. theta energy: -235.921
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2544.172976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.172976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.736439 (E_RNA)
where:
Base-Base interactions energy: -1766.389
where: short stacking energy: -746.747
Base-Backbone interact. energy: -0.796
local terms energy: -779.551530
where:
bonds (distance) C4'-P energy: -138.785
bonds (distance) P-C4' energy: -139.071
flat angles C4'-P-C4' energy: -176.304
flat angles P-C4'-P energy: -112.863
tors. eta vs tors. theta energy: -212.528
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: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2352.657525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.657525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.799152 (E_RNA)
where:
Base-Base interactions energy: -1592.624
where: short stacking energy: -696.147
Base-Backbone interact. energy: 5.753
local terms energy: -767.927973
where:
bonds (distance) C4'-P energy: -149.718
bonds (distance) P-C4' energy: -142.156
flat angles C4'-P-C4' energy: -183.375
flat angles P-C4'-P energy: -88.545
tors. eta vs tors. theta energy: -204.134
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2348.164957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.164957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.859240 (E_RNA)
where:
Base-Base interactions energy: -1612.144
where: short stacking energy: -668.644
Base-Backbone interact. energy: 2.883
local terms energy: -740.598382
where:
bonds (distance) C4'-P energy: -123.444
bonds (distance) P-C4' energy: -160.349
flat angles C4'-P-C4' energy: -162.693
flat angles P-C4'-P energy: -104.999
tors. eta vs tors. theta energy: -189.113
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: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2088.624860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.624860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.783937 (E_RNA)
where:
Base-Base interactions energy: -1428.121
where: short stacking energy: -590.934
Base-Backbone interact. energy: 0.284
local terms energy: -662.946721
where:
bonds (distance) C4'-P energy: -137.594
bonds (distance) P-C4' energy: -134.499
flat angles C4'-P-C4' energy: -139.319
flat angles P-C4'-P energy: -105.710
tors. eta vs tors. theta energy: -145.824
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2036.310879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.310879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.042357 (E_RNA)
where:
Base-Base interactions energy: -1394.135
where: short stacking energy: -574.087
Base-Backbone interact. energy: 4.093
local terms energy: -647.999555
where:
bonds (distance) C4'-P energy: -111.384
bonds (distance) P-C4' energy: -153.513
flat angles C4'-P-C4' energy: -146.446
flat angles P-C4'-P energy: -84.872
tors. eta vs tors. theta energy: -151.785
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: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1945.313284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.313284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.571693 (E_RNA)
where:
Base-Base interactions energy: -1325.906
where: short stacking energy: -556.918
Base-Backbone interact. energy: 1.826
local terms energy: -623.491685
where:
bonds (distance) C4'-P energy: -124.270
bonds (distance) P-C4' energy: -135.050
flat angles C4'-P-C4' energy: -139.128
flat angles P-C4'-P energy: -80.588
tors. eta vs tors. theta energy: -144.455
Dist. restrs. and SS energy: 2.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1866.050781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.050781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.892887 (E_RNA)
where:
Base-Base interactions energy: -1282.166
where: short stacking energy: -547.106
Base-Backbone interact. energy: 1.402
local terms energy: -589.128191
where:
bonds (distance) C4'-P energy: -116.803
bonds (distance) P-C4' energy: -126.903
flat angles C4'-P-C4' energy: -129.671
flat angles P-C4'-P energy: -79.381
tors. eta vs tors. theta energy: -136.370
Dist. restrs. and SS energy: 3.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2911.343848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.343848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.470349 (E_RNA)
where:
Base-Base interactions energy: -2041.550
where: short stacking energy: -808.530
Base-Backbone interact. energy: 7.791
local terms energy: -879.711251
where:
bonds (distance) C4'-P energy: -156.850
bonds (distance) P-C4' energy: -173.585
flat angles C4'-P-C4' energy: -182.752
flat angles P-C4'-P energy: -128.567
tors. eta vs tors. theta energy: -237.957
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: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2785.610739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.610739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.435761 (E_RNA)
where:
Base-Base interactions energy: -1944.626
where: short stacking energy: -801.505
Base-Backbone interact. energy: 2.452
local terms energy: -846.262110
where:
bonds (distance) C4'-P energy: -166.808
bonds (distance) P-C4' energy: -146.757
flat angles C4'-P-C4' energy: -177.399
flat angles P-C4'-P energy: -114.215
tors. eta vs tors. theta energy: -241.083
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2746.106101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.106101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.039973 (E_RNA)
where:
Base-Base interactions energy: -1908.617
where: short stacking energy: -799.213
Base-Backbone interact. energy: -2.014
local terms energy: -837.409619
where:
bonds (distance) C4'-P energy: -148.851
bonds (distance) P-C4' energy: -158.218
flat angles C4'-P-C4' energy: -183.321
flat angles P-C4'-P energy: -113.673
tors. eta vs tors. theta energy: -233.347
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2572.475833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.475833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.128059 (E_RNA)
where:
Base-Base interactions energy: -1782.096
where: short stacking energy: -747.974
Base-Backbone interact. energy: -2.453
local terms energy: -790.578628
where:
bonds (distance) C4'-P energy: -133.717
bonds (distance) P-C4' energy: -145.012
flat angles C4'-P-C4' energy: -162.540
flat angles P-C4'-P energy: -119.047
tors. eta vs tors. theta energy: -230.262
Dist. restrs. and SS energy: 2.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2344.662732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.662732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.878434 (E_RNA)
where:
Base-Base interactions energy: -1615.483
where: short stacking energy: -687.387
Base-Backbone interact. energy: -2.196
local terms energy: -728.198966
where:
bonds (distance) C4'-P energy: -127.678
bonds (distance) P-C4' energy: -145.648
flat angles C4'-P-C4' energy: -162.345
flat angles P-C4'-P energy: -100.514
tors. eta vs tors. theta energy: -192.014
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: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2283.214491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.214491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.264972 (E_RNA)
where:
Base-Base interactions energy: -1564.023
where: short stacking energy: -679.305
Base-Backbone interact. energy: -1.624
local terms energy: -719.618093
where:
bonds (distance) C4'-P energy: -125.636
bonds (distance) P-C4' energy: -153.631
flat angles C4'-P-C4' energy: -154.663
flat angles P-C4'-P energy: -96.171
tors. eta vs tors. theta energy: -189.516
Dist. restrs. and SS energy: 2.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2156.630087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.630087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.725754 (E_RNA)
where:
Base-Base interactions energy: -1466.528
where: short stacking energy: -617.309
Base-Backbone interact. energy: -0.445
local terms energy: -697.752776
where:
bonds (distance) C4'-P energy: -135.469
bonds (distance) P-C4' energy: -150.250
flat angles C4'-P-C4' energy: -168.061
flat angles P-C4'-P energy: -82.201
tors. eta vs tors. theta energy: -161.772
Dist. restrs. and SS energy: 8.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2022.509169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.509169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.780800 (E_RNA)
where:
Base-Base interactions energy: -1349.447
where: short stacking energy: -571.075
Base-Backbone interact. energy: -1.265
local terms energy: -674.068934
where:
bonds (distance) C4'-P energy: -132.876
bonds (distance) P-C4' energy: -137.175
flat angles C4'-P-C4' energy: -147.799
flat angles P-C4'-P energy: -99.567
tors. eta vs tors. theta energy: -156.652
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1947.906514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.906514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.352075 (E_RNA)
where:
Base-Base interactions energy: -1330.946
where: short stacking energy: -563.642
Base-Backbone interact. energy: 4.814
local terms energy: -625.220013
where:
bonds (distance) C4'-P energy: -133.902
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -121.984
flat angles P-C4'-P energy: -95.827
tors. eta vs tors. theta energy: -146.054
Dist. restrs. and SS energy: 3.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1848.258023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.258023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.989803 (E_RNA)
where:
Base-Base interactions energy: -1258.848
where: short stacking energy: -521.305
Base-Backbone interact. energy: 1.589
local terms energy: -595.731404
where:
bonds (distance) C4'-P energy: -114.749
bonds (distance) P-C4' energy: -120.957
flat angles C4'-P-C4' energy: -134.635
flat angles P-C4'-P energy: -91.164
tors. eta vs tors. theta energy: -134.227
Dist. restrs. and SS energy: 4.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2903.028883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.028883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.637437 (E_RNA)
where:
Base-Base interactions energy: -2043.565
where: short stacking energy: -840.462
Base-Backbone interact. energy: 2.625
local terms energy: -865.696651
where:
bonds (distance) C4'-P energy: -155.742
bonds (distance) P-C4' energy: -160.765
flat angles C4'-P-C4' energy: -183.304
flat angles P-C4'-P energy: -121.688
tors. eta vs tors. theta energy: -244.197
Dist. restrs. and SS energy: 3.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2837.012589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.012589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.941982 (E_RNA)
where:
Base-Base interactions energy: -1966.167
where: short stacking energy: -817.827
Base-Backbone interact. energy: 2.806
local terms energy: -874.580682
where:
bonds (distance) C4'-P energy: -167.492
bonds (distance) P-C4' energy: -158.644
flat angles C4'-P-C4' energy: -180.839
flat angles P-C4'-P energy: -132.937
tors. eta vs tors. theta energy: -234.670
Dist. restrs. and SS energy: 0.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2711.885807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.885807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.896156 (E_RNA)
where:
Base-Base interactions energy: -1872.095
where: short stacking energy: -780.825
Base-Backbone interact. energy: -3.387
local terms energy: -837.414374
where:
bonds (distance) C4'-P energy: -152.478
bonds (distance) P-C4' energy: -163.237
flat angles C4'-P-C4' energy: -163.972
flat angles P-C4'-P energy: -117.140
tors. eta vs tors. theta energy: -240.587
Dist. restrs. and SS energy: 1.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2608.393631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.393631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.863456 (E_RNA)
where:
Base-Base interactions energy: -1798.355
where: short stacking energy: -716.540
Base-Backbone interact. energy: -2.980
local terms energy: -808.528201
where:
bonds (distance) C4'-P energy: -153.678
bonds (distance) P-C4' energy: -149.219
flat angles C4'-P-C4' energy: -184.630
flat angles P-C4'-P energy: -114.041
tors. eta vs tors. theta energy: -206.960
Dist. restrs. and SS energy: 1.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2366.635458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.635458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.503742 (E_RNA)
where:
Base-Base interactions energy: -1612.660
where: short stacking energy: -681.670
Base-Backbone interact. energy: 2.085
local terms energy: -757.928096
where:
bonds (distance) C4'-P energy: -149.467
bonds (distance) P-C4' energy: -136.919
flat angles C4'-P-C4' energy: -158.175
flat angles P-C4'-P energy: -114.616
tors. eta vs tors. theta energy: -198.752
Dist. restrs. and SS energy: 1.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2269.858632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.858632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.041050 (E_RNA)
where:
Base-Base interactions energy: -1541.291
where: short stacking energy: -651.821
Base-Backbone interact. energy: -0.563
local terms energy: -730.186717
where:
bonds (distance) C4'-P energy: -139.829
bonds (distance) P-C4' energy: -147.297
flat angles C4'-P-C4' energy: -159.600
flat angles P-C4'-P energy: -105.533
tors. eta vs tors. theta energy: -177.927
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2126.456109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.456109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.534019 (E_RNA)
where:
Base-Base interactions energy: -1417.790
where: short stacking energy: -580.082
Base-Backbone interact. energy: -3.549
local terms energy: -707.195829
where:
bonds (distance) C4'-P energy: -135.473
bonds (distance) P-C4' energy: -159.321
flat angles C4'-P-C4' energy: -155.513
flat angles P-C4'-P energy: -100.295
tors. eta vs tors. theta energy: -156.593
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: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2004.262010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.262010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.396557 (E_RNA)
where:
Base-Base interactions energy: -1358.787
where: short stacking energy: -557.921
Base-Backbone interact. energy: 8.304
local terms energy: -655.913347
where:
bonds (distance) C4'-P energy: -131.447
bonds (distance) P-C4' energy: -131.767
flat angles C4'-P-C4' energy: -156.607
flat angles P-C4'-P energy: -104.149
tors. eta vs tors. theta energy: -131.943
Dist. restrs. and SS energy: 2.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1934.563939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.563939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.715045 (E_RNA)
where:
Base-Base interactions energy: -1341.485
where: short stacking energy: -590.039
Base-Backbone interact. energy: 1.055
local terms energy: -596.285438
where:
bonds (distance) C4'-P energy: -118.864
bonds (distance) P-C4' energy: -106.956
flat angles C4'-P-C4' energy: -140.311
flat angles P-C4'-P energy: -87.923
tors. eta vs tors. theta energy: -142.232
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1872.358656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.358656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.519417 (E_RNA)
where:
Base-Base interactions energy: -1284.288
where: short stacking energy: -530.587
Base-Backbone interact. energy: -1.701
local terms energy: -588.530592
where:
bonds (distance) C4'-P energy: -119.303
bonds (distance) P-C4' energy: -131.397
flat angles C4'-P-C4' energy: -138.598
flat angles P-C4'-P energy: -78.241
tors. eta vs tors. theta energy: -120.991
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: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2894.910250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.910250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.328070 (E_RNA)
where:
Base-Base interactions energy: -2006.922
where: short stacking energy: -843.064
Base-Backbone interact. energy: -5.038
local terms energy: -885.367566
where:
bonds (distance) C4'-P energy: -169.934
bonds (distance) P-C4' energy: -149.786
flat angles C4'-P-C4' energy: -191.462
flat angles P-C4'-P energy: -130.697
tors. eta vs tors. theta energy: -243.489
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2807.031862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.031862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.353477 (E_RNA)
where:
Base-Base interactions energy: -1969.224
where: short stacking energy: -809.635
Base-Backbone interact. energy: 2.493
local terms energy: -841.621828
where:
bonds (distance) C4'-P energy: -148.157
bonds (distance) P-C4' energy: -160.035
flat angles C4'-P-C4' energy: -184.101
flat angles P-C4'-P energy: -110.404
tors. eta vs tors. theta energy: -238.925
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: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2729.264686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.264686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.650997 (E_RNA)
where:
Base-Base interactions energy: -1884.464
where: short stacking energy: -801.623
Base-Backbone interact. energy: -0.087
local terms energy: -846.100154
where:
bonds (distance) C4'-P energy: -142.272
bonds (distance) P-C4' energy: -158.603
flat angles C4'-P-C4' energy: -189.407
flat angles P-C4'-P energy: -119.076
tors. eta vs tors. theta energy: -236.742
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2603.323594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.323594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.635634 (E_RNA)
where:
Base-Base interactions energy: -1804.323
where: short stacking energy: -757.581
Base-Backbone interact. energy: -6.546
local terms energy: -793.766426
where:
bonds (distance) C4'-P energy: -135.194
bonds (distance) P-C4' energy: -161.558
flat angles C4'-P-C4' energy: -167.542
flat angles P-C4'-P energy: -112.484
tors. eta vs tors. theta energy: -216.989
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2367.445563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.445563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.230760 (E_RNA)
where:
Base-Base interactions energy: -1635.414
where: short stacking energy: -720.883
Base-Backbone interact. energy: 7.065
local terms energy: -740.881470
where:
bonds (distance) C4'-P energy: -130.074
bonds (distance) P-C4' energy: -137.240
flat angles C4'-P-C4' energy: -168.510
flat angles P-C4'-P energy: -108.350
tors. eta vs tors. theta energy: -196.708
Dist. restrs. and SS energy: 1.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2279.885408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.885408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.324777 (E_RNA)
where:
Base-Base interactions energy: -1551.166
where: short stacking energy: -660.952
Base-Backbone interact. energy: -2.307
local terms energy: -730.852468
where:
bonds (distance) C4'-P energy: -133.561
bonds (distance) P-C4' energy: -141.553
flat angles C4'-P-C4' energy: -169.296
flat angles P-C4'-P energy: -108.428
tors. eta vs tors. theta energy: -178.015
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: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2104.406828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.406828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.301659 (E_RNA)
where:
Base-Base interactions energy: -1433.625
where: short stacking energy: -617.142
Base-Backbone interact. energy: 0.621
local terms energy: -674.297579
where:
bonds (distance) C4'-P energy: -122.705
bonds (distance) P-C4' energy: -140.862
flat angles C4'-P-C4' energy: -145.417
flat angles P-C4'-P energy: -104.618
tors. eta vs tors. theta energy: -160.695
Dist. restrs. and SS energy: 2.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2028.757527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.757527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.161177 (E_RNA)
where:
Base-Base interactions energy: -1351.110
where: short stacking energy: -571.155
Base-Backbone interact. energy: 0.738
local terms energy: -681.788693
where:
bonds (distance) C4'-P energy: -128.972
bonds (distance) P-C4' energy: -156.688
flat angles C4'-P-C4' energy: -149.154
flat angles P-C4'-P energy: -93.860
tors. eta vs tors. theta energy: -153.114
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1909.105078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.105078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.569206 (E_RNA)
where:
Base-Base interactions energy: -1314.083
where: short stacking energy: -536.967
Base-Backbone interact. energy: -3.777
local terms energy: -593.708801
where:
bonds (distance) C4'-P energy: -124.149
bonds (distance) P-C4' energy: -133.076
flat angles C4'-P-C4' energy: -119.332
flat angles P-C4'-P energy: -84.045
tors. eta vs tors. theta energy: -133.107
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1845.069642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.069642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.303173 (E_RNA)
where:
Base-Base interactions energy: -1265.966
where: short stacking energy: -535.157
Base-Backbone interact. energy: 1.865
local terms energy: -584.202385
where:
bonds (distance) C4'-P energy: -117.957
bonds (distance) P-C4' energy: -113.261
flat angles C4'-P-C4' energy: -148.623
flat angles P-C4'-P energy: -70.090
tors. eta vs tors. theta energy: -134.272
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2925.654251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.654251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.387047 (E_RNA)
where:
Base-Base interactions energy: -2051.269
where: short stacking energy: -850.117
Base-Backbone interact. energy: -6.242
local terms energy: -869.875951
where:
bonds (distance) C4'-P energy: -158.604
bonds (distance) P-C4' energy: -164.212
flat angles C4'-P-C4' energy: -175.963
flat angles P-C4'-P energy: -127.154
tors. eta vs tors. theta energy: -243.943
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2800.215474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.215474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.412867 (E_RNA)
where:
Base-Base interactions energy: -1951.173
where: short stacking energy: -799.918
Base-Backbone interact. energy: -2.413
local terms energy: -847.826564
where:
bonds (distance) C4'-P energy: -155.555
bonds (distance) P-C4' energy: -160.821
flat angles C4'-P-C4' energy: -171.355
flat angles P-C4'-P energy: -123.287
tors. eta vs tors. theta energy: -236.808
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: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2737.056422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.056422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.209081 (E_RNA)
where:
Base-Base interactions energy: -1902.030
where: short stacking energy: -795.754
Base-Backbone interact. energy: -1.986
local terms energy: -835.193430
where:
bonds (distance) C4'-P energy: -124.161
bonds (distance) P-C4' energy: -157.634
flat angles C4'-P-C4' energy: -189.047
flat angles P-C4'-P energy: -122.631
tors. eta vs tors. theta energy: -241.721
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: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2603.956046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.956046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.199108 (E_RNA)
where:
Base-Base interactions energy: -1812.628
where: short stacking energy: -754.000
Base-Backbone interact. energy: -0.695
local terms energy: -791.876478
where:
bonds (distance) C4'-P energy: -154.189
bonds (distance) P-C4' energy: -144.552
flat angles C4'-P-C4' energy: -167.142
flat angles P-C4'-P energy: -113.240
tors. eta vs tors. theta energy: -212.752
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2384.699469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.699469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.873497 (E_RNA)
where:
Base-Base interactions energy: -1632.609
where: short stacking energy: -706.152
Base-Backbone interact. energy: -1.929
local terms energy: -753.335040
where:
bonds (distance) C4'-P energy: -133.714
bonds (distance) P-C4' energy: -148.877
flat angles C4'-P-C4' energy: -169.716
flat angles P-C4'-P energy: -100.440
tors. eta vs tors. theta energy: -200.589
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: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2278.458783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.458783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.089173 (E_RNA)
where:
Base-Base interactions energy: -1542.722
where: short stacking energy: -648.208
Base-Backbone interact. energy: 2.572
local terms energy: -740.939601
where:
bonds (distance) C4'-P energy: -140.293
bonds (distance) P-C4' energy: -157.071
flat angles C4'-P-C4' energy: -148.431
flat angles P-C4'-P energy: -111.551
tors. eta vs tors. theta energy: -183.594
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2091.119359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.119359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.457880 (E_RNA)
where:
Base-Base interactions energy: -1413.045
where: short stacking energy: -597.381
Base-Backbone interact. energy: -1.571
local terms energy: -679.841734
where:
bonds (distance) C4'-P energy: -134.801
bonds (distance) P-C4' energy: -152.028
flat angles C4'-P-C4' energy: -145.165
flat angles P-C4'-P energy: -98.789
tors. eta vs tors. theta energy: -149.059
Dist. restrs. and SS energy: 3.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2025.778318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.778318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.289368 (E_RNA)
where:
Base-Base interactions energy: -1363.642
where: short stacking energy: -573.198
Base-Backbone interact. energy: 0.840
local terms energy: -664.487071
where:
bonds (distance) C4'-P energy: -154.454
bonds (distance) P-C4' energy: -130.233
flat angles C4'-P-C4' energy: -141.562
flat angles P-C4'-P energy: -84.157
tors. eta vs tors. theta energy: -154.081
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: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1947.349256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.349256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.980213 (E_RNA)
where:
Base-Base interactions energy: -1347.088
where: short stacking energy: -553.551
Base-Backbone interact. energy: -2.372
local terms energy: -600.519926
where:
bonds (distance) C4'-P energy: -140.677
bonds (distance) P-C4' energy: -116.055
flat angles C4'-P-C4' energy: -124.572
flat angles P-C4'-P energy: -84.170
tors. eta vs tors. theta energy: -135.046
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: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1832.199852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.199852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.726130 (E_RNA)
where:
Base-Base interactions energy: -1263.022
where: short stacking energy: -520.351
Base-Backbone interact. energy: -0.964
local terms energy: -571.740154
where:
bonds (distance) C4'-P energy: -124.451
bonds (distance) P-C4' energy: -143.046
flat angles C4'-P-C4' energy: -127.322
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -111.181
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: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2922.109629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.109629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.934462 (E_RNA)
where:
Base-Base interactions energy: -2049.389
where: short stacking energy: -850.674
Base-Backbone interact. energy: 1.254
local terms energy: -875.799213
where:
bonds (distance) C4'-P energy: -149.100
bonds (distance) P-C4' energy: -157.020
flat angles C4'-P-C4' energy: -185.130
flat angles P-C4'-P energy: -133.155
tors. eta vs tors. theta energy: -251.394
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: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2797.620956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.620956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.636660 (E_RNA)
where:
Base-Base interactions energy: -1961.089
where: short stacking energy: -803.409
Base-Backbone interact. energy: 2.073
local terms energy: -839.620400
where:
bonds (distance) C4'-P energy: -129.622
bonds (distance) P-C4' energy: -167.686
flat angles C4'-P-C4' energy: -183.019
flat angles P-C4'-P energy: -125.499
tors. eta vs tors. theta energy: -233.796
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2725.042946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.042946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.502536 (E_RNA)
where:
Base-Base interactions energy: -1920.701
where: short stacking energy: -776.868
Base-Backbone interact. energy: -1.565
local terms energy: -804.236705
where:
bonds (distance) C4'-P energy: -151.287
bonds (distance) P-C4' energy: -159.593
flat angles C4'-P-C4' energy: -170.563
flat angles P-C4'-P energy: -102.764
tors. eta vs tors. theta energy: -220.031
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: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2562.431028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.431028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.797178 (E_RNA)
where:
Base-Base interactions energy: -1783.908
where: short stacking energy: -741.634
Base-Backbone interact. energy: 4.370
local terms energy: -785.259502
where:
bonds (distance) C4'-P energy: -131.894
bonds (distance) P-C4' energy: -166.187
flat angles C4'-P-C4' energy: -157.031
flat angles P-C4'-P energy: -115.377
tors. eta vs tors. theta energy: -214.770
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: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2377.868664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.868664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.306782 (E_RNA)
where:
Base-Base interactions energy: -1638.016
where: short stacking energy: -684.564
Base-Backbone interact. energy: 4.146
local terms energy: -745.436325
where:
bonds (distance) C4'-P energy: -144.775
bonds (distance) P-C4' energy: -129.633
flat angles C4'-P-C4' energy: -169.521
flat angles P-C4'-P energy: -113.439
tors. eta vs tors. theta energy: -188.069
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: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2272.959500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.959500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.681663 (E_RNA)
where:
Base-Base interactions energy: -1581.602
where: short stacking energy: -648.381
Base-Backbone interact. energy: -2.849
local terms energy: -690.231357
where:
bonds (distance) C4'-P energy: -132.940
bonds (distance) P-C4' energy: -127.273
flat angles C4'-P-C4' energy: -163.315
flat angles P-C4'-P energy: -90.555
tors. eta vs tors. theta energy: -176.148
Dist. restrs. and SS energy: 1.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2100.601083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.601083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.259212 (E_RNA)
where:
Base-Base interactions energy: -1442.365
where: short stacking energy: -626.391
Base-Backbone interact. energy: -1.921
local terms energy: -660.972601
where:
bonds (distance) C4'-P energy: -132.462
bonds (distance) P-C4' energy: -133.744
flat angles C4'-P-C4' energy: -152.425
flat angles P-C4'-P energy: -91.333
tors. eta vs tors. theta energy: -151.009
Dist. restrs. and SS energy: 4.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1995.296253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.296253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.809592 (E_RNA)
where:
Base-Base interactions energy: -1340.046
where: short stacking energy: -579.604
Base-Backbone interact. energy: 1.329
local terms energy: -660.093062
where:
bonds (distance) C4'-P energy: -125.496
bonds (distance) P-C4' energy: -133.268
flat angles C4'-P-C4' energy: -159.554
flat angles P-C4'-P energy: -78.650
tors. eta vs tors. theta energy: -163.125
Dist. restrs. and SS energy: 3.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1931.316671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.316671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.301473 (E_RNA)
where:
Base-Base interactions energy: -1314.185
where: short stacking energy: -549.229
Base-Backbone interact. energy: -2.209
local terms energy: -617.907644
where:
bonds (distance) C4'-P energy: -123.003
bonds (distance) P-C4' energy: -124.837
flat angles C4'-P-C4' energy: -132.226
flat angles P-C4'-P energy: -94.705
tors. eta vs tors. theta energy: -143.136
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1871.483430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.483430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.525534 (E_RNA)
where:
Base-Base interactions energy: -1255.295
where: short stacking energy: -529.266
Base-Backbone interact. energy: -0.418
local terms energy: -622.812475
where:
bonds (distance) C4'-P energy: -127.458
bonds (distance) P-C4' energy: -149.447
flat angles C4'-P-C4' energy: -143.687
flat angles P-C4'-P energy: -62.137
tors. eta vs tors. theta energy: -140.085
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2923.337040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.337040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.110277 (E_RNA)
where:
Base-Base interactions energy: -2036.296
where: short stacking energy: -856.432
Base-Backbone interact. energy: 0.717
local terms energy: -889.531165
where:
bonds (distance) C4'-P energy: -153.471
bonds (distance) P-C4' energy: -179.378
flat angles C4'-P-C4' energy: -186.445
flat angles P-C4'-P energy: -122.644
tors. eta vs tors. theta energy: -247.592
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: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2800.726143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.726143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.133007 (E_RNA)
where:
Base-Base interactions energy: -1948.319
where: short stacking energy: -808.937
Base-Backbone interact. energy: -0.581
local terms energy: -853.233200
where:
bonds (distance) C4'-P energy: -157.216
bonds (distance) P-C4' energy: -157.867
flat angles C4'-P-C4' energy: -170.839
flat angles P-C4'-P energy: -128.658
tors. eta vs tors. theta energy: -238.653
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2694.812720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.812720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.970697 (E_RNA)
where:
Base-Base interactions energy: -1839.148
where: short stacking energy: -753.019
Base-Backbone interact. energy: -2.048
local terms energy: -855.774685
where:
bonds (distance) C4'-P energy: -160.575
bonds (distance) P-C4' energy: -164.277
flat angles C4'-P-C4' energy: -183.836
flat angles P-C4'-P energy: -113.672
tors. eta vs tors. theta energy: -233.414
Dist. restrs. and SS energy: 2.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2573.173049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.173049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.599013 (E_RNA)
where:
Base-Base interactions energy: -1792.700
where: short stacking energy: -756.632
Base-Backbone interact. energy: -1.053
local terms energy: -780.845720
where:
bonds (distance) C4'-P energy: -149.752
bonds (distance) P-C4' energy: -153.092
flat angles C4'-P-C4' energy: -166.906
flat angles P-C4'-P energy: -98.455
tors. eta vs tors. theta energy: -212.640
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: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2390.416899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.416899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.285831 (E_RNA)
where:
Base-Base interactions energy: -1635.798
where: short stacking energy: -690.255
Base-Backbone interact. energy: -4.252
local terms energy: -753.235792
where:
bonds (distance) C4'-P energy: -129.822
bonds (distance) P-C4' energy: -151.015
flat angles C4'-P-C4' energy: -159.872
flat angles P-C4'-P energy: -114.607
tors. eta vs tors. theta energy: -197.920
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2338.824918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.824918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.821451 (E_RNA)
where:
Base-Base interactions energy: -1582.762
where: short stacking energy: -680.798
Base-Backbone interact. energy: 0.315
local terms energy: -758.374885
where:
bonds (distance) C4'-P energy: -145.766
bonds (distance) P-C4' energy: -167.239
flat angles C4'-P-C4' energy: -156.490
flat angles P-C4'-P energy: -102.343
tors. eta vs tors. theta energy: -186.537
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2114.198013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.198013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.832842 (E_RNA)
where:
Base-Base interactions energy: -1441.163
where: short stacking energy: -648.389
Base-Backbone interact. energy: 0.042
local terms energy: -675.711398
where:
bonds (distance) C4'-P energy: -115.836
bonds (distance) P-C4' energy: -130.245
flat angles C4'-P-C4' energy: -158.370
flat angles P-C4'-P energy: -91.844
tors. eta vs tors. theta energy: -179.417
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: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2057.683770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.683770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.492960 (E_RNA)
where:
Base-Base interactions energy: -1369.529
where: short stacking energy: -600.253
Base-Backbone interact. energy: -0.487
local terms energy: -689.477161
where:
bonds (distance) C4'-P energy: -132.275
bonds (distance) P-C4' energy: -145.362
flat angles C4'-P-C4' energy: -150.704
flat angles P-C4'-P energy: -97.876
tors. eta vs tors. theta energy: -163.260
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1915.946507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.946507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.883365 (E_RNA)
where:
Base-Base interactions energy: -1318.766
where: short stacking energy: -550.020
Base-Backbone interact. energy: -1.230
local terms energy: -600.887479
where:
bonds (distance) C4'-P energy: -113.971
bonds (distance) P-C4' energy: -131.100
flat angles C4'-P-C4' energy: -127.186
flat angles P-C4'-P energy: -91.077
tors. eta vs tors. theta energy: -137.552
Dist. restrs. and SS energy: 4.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1818.274284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.274284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.177863 (E_RNA)
where:
Base-Base interactions energy: -1248.171
where: short stacking energy: -512.126
Base-Backbone interact. energy: -0.137
local terms energy: -571.870071
where:
bonds (distance) C4'-P energy: -124.357
bonds (distance) P-C4' energy: -127.702
flat angles C4'-P-C4' energy: -132.715
flat angles P-C4'-P energy: -75.449
tors. eta vs tors. theta energy: -111.647
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: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2938.201001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.201001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.400839 (E_RNA)
where:
Base-Base interactions energy: -2059.622
where: short stacking energy: -854.119
Base-Backbone interact. energy: 5.571
local terms energy: -885.349981
where:
bonds (distance) C4'-P energy: -160.164
bonds (distance) P-C4' energy: -165.318
flat angles C4'-P-C4' energy: -186.675
flat angles P-C4'-P energy: -119.757
tors. eta vs tors. theta energy: -253.435
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2817.234681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.234681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.136186 (E_RNA)
where:
Base-Base interactions energy: -1960.384
where: short stacking energy: -813.857
Base-Backbone interact. energy: -1.388
local terms energy: -856.364275
where:
bonds (distance) C4'-P energy: -160.929
bonds (distance) P-C4' energy: -175.658
flat angles C4'-P-C4' energy: -183.070
flat angles P-C4'-P energy: -99.278
tors. eta vs tors. theta energy: -237.429
Dist. restrs. and SS energy: 0.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2695.441293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.441293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.864487 (E_RNA)
where:
Base-Base interactions energy: -1849.857
where: short stacking energy: -769.926
Base-Backbone interact. energy: -4.671
local terms energy: -844.336116
where:
bonds (distance) C4'-P energy: -145.820
bonds (distance) P-C4' energy: -160.320
flat angles C4'-P-C4' energy: -182.167
flat angles P-C4'-P energy: -128.587
tors. eta vs tors. theta energy: -227.442
Dist. restrs. and SS energy: 3.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2516.502263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.502263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.861459 (E_RNA)
where:
Base-Base interactions energy: -1702.144
where: short stacking energy: -728.594
Base-Backbone interact. energy: 3.817
local terms energy: -821.534416
where:
bonds (distance) C4'-P energy: -150.851
bonds (distance) P-C4' energy: -159.734
flat angles C4'-P-C4' energy: -179.074
flat angles P-C4'-P energy: -117.502
tors. eta vs tors. theta energy: -214.373
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2448.824957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.824957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.766611 (E_RNA)
where:
Base-Base interactions energy: -1686.848
where: short stacking energy: -720.840
Base-Backbone interact. energy: 0.631
local terms energy: -764.549040
where:
bonds (distance) C4'-P energy: -148.214
bonds (distance) P-C4' energy: -145.346
flat angles C4'-P-C4' energy: -174.891
flat angles P-C4'-P energy: -89.531
tors. eta vs tors. theta energy: -206.566
Dist. restrs. and SS energy: 1.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2276.181246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.181246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.158391 (E_RNA)
where:
Base-Base interactions energy: -1552.598
where: short stacking energy: -632.488
Base-Backbone interact. energy: -3.190
local terms energy: -723.370220
where:
bonds (distance) C4'-P energy: -140.585
bonds (distance) P-C4' energy: -138.847
flat angles C4'-P-C4' energy: -156.187
flat angles P-C4'-P energy: -104.699
tors. eta vs tors. theta energy: -183.053
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2088.358221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.358221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.901631 (E_RNA)
where:
Base-Base interactions energy: -1400.251
where: short stacking energy: -619.949
Base-Backbone interact. energy: -1.675
local terms energy: -689.975172
where:
bonds (distance) C4'-P energy: -144.883
bonds (distance) P-C4' energy: -136.412
flat angles C4'-P-C4' energy: -158.319
flat angles P-C4'-P energy: -93.618
tors. eta vs tors. theta energy: -156.743
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2009.237786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.237786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.451228 (E_RNA)
where:
Base-Base interactions energy: -1378.272
where: short stacking energy: -566.501
Base-Backbone interact. energy: 0.197
local terms energy: -632.376607
where:
bonds (distance) C4'-P energy: -129.295
bonds (distance) P-C4' energy: -134.975
flat angles C4'-P-C4' energy: -145.794
flat angles P-C4'-P energy: -77.989
tors. eta vs tors. theta energy: -144.324
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: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1932.143010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.143010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.020708 (E_RNA)
where:
Base-Base interactions energy: -1296.563
where: short stacking energy: -554.763
Base-Backbone interact. energy: -1.227
local terms energy: -638.230164
where:
bonds (distance) C4'-P energy: -124.320
bonds (distance) P-C4' energy: -132.840
flat angles C4'-P-C4' energy: -145.898
flat angles P-C4'-P energy: -87.634
tors. eta vs tors. theta energy: -147.538
Dist. restrs. and SS energy: 3.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1844.216721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.216721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.715907 (E_RNA)
where:
Base-Base interactions energy: -1249.033
where: short stacking energy: -538.703
Base-Backbone interact. energy: -1.339
local terms energy: -607.344678
where:
bonds (distance) C4'-P energy: -136.102
bonds (distance) P-C4' energy: -129.490
flat angles C4'-P-C4' energy: -137.726
flat angles P-C4'-P energy: -69.647
tors. eta vs tors. theta energy: -134.381
Dist. restrs. and SS energy: 13.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2927.308580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.308580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.083820 (E_RNA)
where:
Base-Base interactions energy: -2050.532
where: short stacking energy: -853.538
Base-Backbone interact. energy: -2.660
local terms energy: -875.892051
where:
bonds (distance) C4'-P energy: -160.694
bonds (distance) P-C4' energy: -151.293
flat angles C4'-P-C4' energy: -186.101
flat angles P-C4'-P energy: -127.789
tors. eta vs tors. theta energy: -250.015
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2807.811895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.811895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.150342 (E_RNA)
where:
Base-Base interactions energy: -1937.224
where: short stacking energy: -803.618
Base-Backbone interact. energy: -2.957
local terms energy: -868.969202
where:
bonds (distance) C4'-P energy: -162.654
bonds (distance) P-C4' energy: -153.171
flat angles C4'-P-C4' energy: -193.361
flat angles P-C4'-P energy: -131.772
tors. eta vs tors. theta energy: -228.010
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: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2692.225884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.225884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.108937 (E_RNA)
where:
Base-Base interactions energy: -1880.221
where: short stacking energy: -775.602
Base-Backbone interact. energy: 3.425
local terms energy: -818.313781
where:
bonds (distance) C4'-P energy: -154.606
bonds (distance) P-C4' energy: -157.722
flat angles C4'-P-C4' energy: -170.240
flat angles P-C4'-P energy: -105.309
tors. eta vs tors. theta energy: -230.438
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2636.741107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.741107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.849270 (E_RNA)
where:
Base-Base interactions energy: -1828.688
where: short stacking energy: -756.118
Base-Backbone interact. energy: 2.071
local terms energy: -812.232246
where:
bonds (distance) C4'-P energy: -147.246
bonds (distance) P-C4' energy: -157.063
flat angles C4'-P-C4' energy: -167.684
flat angles P-C4'-P energy: -121.953
tors. eta vs tors. theta energy: -218.287
Dist. restrs. and SS energy: 2.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2418.386240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.386240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.598313 (E_RNA)
where:
Base-Base interactions energy: -1669.127
where: short stacking energy: -731.283
Base-Backbone interact. energy: 1.236
local terms energy: -751.707769
where:
bonds (distance) C4'-P energy: -146.861
bonds (distance) P-C4' energy: -130.090
flat angles C4'-P-C4' energy: -163.002
flat angles P-C4'-P energy: -113.404
tors. eta vs tors. theta energy: -198.350
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: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2263.508107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.508107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.811394 (E_RNA)
where:
Base-Base interactions energy: -1543.246
where: short stacking energy: -676.443
Base-Backbone interact. energy: -1.797
local terms energy: -720.768951
where:
bonds (distance) C4'-P energy: -123.755
bonds (distance) P-C4' energy: -137.060
flat angles C4'-P-C4' energy: -174.512
flat angles P-C4'-P energy: -93.987
tors. eta vs tors. theta energy: -191.455
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2084.979148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.979148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.386671 (E_RNA)
where:
Base-Base interactions energy: -1403.012
where: short stacking energy: -617.694
Base-Backbone interact. energy: 3.719
local terms energy: -688.093982
where:
bonds (distance) C4'-P energy: -140.181
bonds (distance) P-C4' energy: -142.354
flat angles C4'-P-C4' energy: -151.344
flat angles P-C4'-P energy: -90.514
tors. eta vs tors. theta energy: -163.700
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2011.039066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.039066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.503506 (E_RNA)
where:
Base-Base interactions energy: -1342.627
where: short stacking energy: -560.646
Base-Backbone interact. energy: 2.317
local terms energy: -673.193766
where:
bonds (distance) C4'-P energy: -140.575
bonds (distance) P-C4' energy: -138.525
flat angles C4'-P-C4' energy: -156.738
flat angles P-C4'-P energy: -81.494
tors. eta vs tors. theta energy: -155.861
Dist. restrs. and SS energy: 2.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1940.140979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.140979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.918582 (E_RNA)
where:
Base-Base interactions energy: -1300.739
where: short stacking energy: -561.340
Base-Backbone interact. energy: -0.447
local terms energy: -642.732042
where:
bonds (distance) C4'-P energy: -139.180
bonds (distance) P-C4' energy: -131.397
flat angles C4'-P-C4' energy: -134.232
flat angles P-C4'-P energy: -94.265
tors. eta vs tors. theta energy: -143.658
Dist. restrs. and SS energy: 3.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1851.094996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.094996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.996555 (E_RNA)
where:
Base-Base interactions energy: -1234.872
where: short stacking energy: -512.072
Base-Backbone interact. energy: 1.781
local terms energy: -621.905680
where:
bonds (distance) C4'-P energy: -136.379
bonds (distance) P-C4' energy: -130.638
flat angles C4'-P-C4' energy: -154.589
flat angles P-C4'-P energy: -78.173
tors. eta vs tors. theta energy: -122.127
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: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2927.706130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.103523 (E_RNA)
where:
Base-Base interactions energy: -2055.108
where: short stacking energy: -839.678
Base-Backbone interact. energy: -2.973
local terms energy: -872.022384
where:
bonds (distance) C4'-P energy: -168.801
bonds (distance) P-C4' energy: -164.895
flat angles C4'-P-C4' energy: -193.561
flat angles P-C4'-P energy: -107.761
tors. eta vs tors. theta energy: -237.004
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2800.178007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.178007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.275737 (E_RNA)
where:
Base-Base interactions energy: -1958.341
where: short stacking energy: -793.105
Base-Backbone interact. energy: 1.411
local terms energy: -845.345416
where:
bonds (distance) C4'-P energy: -144.263
bonds (distance) P-C4' energy: -151.766
flat angles C4'-P-C4' energy: -188.896
flat angles P-C4'-P energy: -128.471
tors. eta vs tors. theta energy: -231.950
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2741.090973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.090973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.679146 (E_RNA)
where:
Base-Base interactions energy: -1896.460
where: short stacking energy: -787.121
Base-Backbone interact. energy: 0.349
local terms energy: -846.568457
where:
bonds (distance) C4'-P energy: -155.566
bonds (distance) P-C4' energy: -164.082
flat angles C4'-P-C4' energy: -183.732
flat angles P-C4'-P energy: -109.680
tors. eta vs tors. theta energy: -233.509
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: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2619.975387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.975387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.844936 (E_RNA)
where:
Base-Base interactions energy: -1847.214
where: short stacking energy: -768.859
Base-Backbone interact. energy: 2.572
local terms energy: -778.202915
where:
bonds (distance) C4'-P energy: -148.350
bonds (distance) P-C4' energy: -147.297
flat angles C4'-P-C4' energy: -153.881
flat angles P-C4'-P energy: -108.414
tors. eta vs tors. theta energy: -220.261
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2334.261704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.261704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.281266 (E_RNA)
where:
Base-Base interactions energy: -1610.810
where: short stacking energy: -658.244
Base-Backbone interact. energy: -3.298
local terms energy: -722.173652
where:
bonds (distance) C4'-P energy: -140.175
bonds (distance) P-C4' energy: -135.571
flat angles C4'-P-C4' energy: -155.722
flat angles P-C4'-P energy: -123.195
tors. eta vs tors. theta energy: -167.511
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: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2230.198981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.198981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.148406 (E_RNA)
where:
Base-Base interactions energy: -1503.059
where: short stacking energy: -639.237
Base-Backbone interact. energy: -1.357
local terms energy: -728.732262
where:
bonds (distance) C4'-P energy: -122.368
bonds (distance) P-C4' energy: -156.914
flat angles C4'-P-C4' energy: -168.538
flat angles P-C4'-P energy: -95.307
tors. eta vs tors. theta energy: -185.606
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2150.455661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.455661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.129587 (E_RNA)
where:
Base-Base interactions energy: -1431.534
where: short stacking energy: -645.837
Base-Backbone interact. energy: 0.851
local terms energy: -722.446627
where:
bonds (distance) C4'-P energy: -136.446
bonds (distance) P-C4' energy: -136.248
flat angles C4'-P-C4' energy: -159.606
flat angles P-C4'-P energy: -106.738
tors. eta vs tors. theta energy: -183.409
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: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1949.905783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.905783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.373378 (E_RNA)
where:
Base-Base interactions energy: -1293.398
where: short stacking energy: -523.906
Base-Backbone interact. energy: 0.022
local terms energy: -658.997694
where:
bonds (distance) C4'-P energy: -147.665
bonds (distance) P-C4' energy: -144.626
flat angles C4'-P-C4' energy: -161.739
flat angles P-C4'-P energy: -71.370
tors. eta vs tors. theta energy: -133.598
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1922.847949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.847949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.313867 (E_RNA)
where:
Base-Base interactions energy: -1311.578
where: short stacking energy: -556.201
Base-Backbone interact. energy: 3.952
local terms energy: -619.687280
where:
bonds (distance) C4'-P energy: -134.568
bonds (distance) P-C4' energy: -134.814
flat angles C4'-P-C4' energy: -136.445
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -138.391
Dist. restrs. and SS energy: 4.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1873.600948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.600948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.946498 (E_RNA)
where:
Base-Base interactions energy: -1260.143
where: short stacking energy: -531.048
Base-Backbone interact. energy: -3.989
local terms energy: -611.815128
where:
bonds (distance) C4'-P energy: -135.467
bonds (distance) P-C4' energy: -125.859
flat angles C4'-P-C4' energy: -134.245
flat angles P-C4'-P energy: -88.407
tors. eta vs tors. theta energy: -127.836
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: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2968.501215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.501215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.898335 (E_RNA)
where:
Base-Base interactions energy: -2067.492
where: short stacking energy: -845.127
Base-Backbone interact. energy: -5.553
local terms energy: -896.853244
where:
bonds (distance) C4'-P energy: -172.459
bonds (distance) P-C4' energy: -175.425
flat angles C4'-P-C4' energy: -173.427
flat angles P-C4'-P energy: -118.924
tors. eta vs tors. theta energy: -256.617
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: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2806.904831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.904831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.336963 (E_RNA)
where:
Base-Base interactions energy: -1956.550
where: short stacking energy: -809.980
Base-Backbone interact. energy: -4.883
local terms energy: -846.904134
where:
bonds (distance) C4'-P energy: -165.961
bonds (distance) P-C4' energy: -147.844
flat angles C4'-P-C4' energy: -182.508
flat angles P-C4'-P energy: -115.777
tors. eta vs tors. theta energy: -234.814
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: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2706.557665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.557665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.558448 (E_RNA)
where:
Base-Base interactions energy: -1859.077
where: short stacking energy: -757.852
Base-Backbone interact. energy: -0.984
local terms energy: -848.496864
where:
bonds (distance) C4'-P energy: -148.173
bonds (distance) P-C4' energy: -161.861
flat angles C4'-P-C4' energy: -183.786
flat angles P-C4'-P energy: -129.266
tors. eta vs tors. theta energy: -225.410
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2611.077500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.077500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.585356 (E_RNA)
where:
Base-Base interactions energy: -1801.906
where: short stacking energy: -755.453
Base-Backbone interact. energy: -0.952
local terms energy: -810.727241
where:
bonds (distance) C4'-P energy: -136.348
bonds (distance) P-C4' energy: -135.324
flat angles C4'-P-C4' energy: -189.661
flat angles P-C4'-P energy: -118.175
tors. eta vs tors. theta energy: -231.218
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2351.349728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.349728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.990644 (E_RNA)
where:
Base-Base interactions energy: -1573.449
where: short stacking energy: -659.017
Base-Backbone interact. energy: -4.027
local terms energy: -776.515498
where:
bonds (distance) C4'-P energy: -138.455
bonds (distance) P-C4' energy: -174.366
flat angles C4'-P-C4' energy: -162.860
flat angles P-C4'-P energy: -113.779
tors. eta vs tors. theta energy: -187.055
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: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2221.738062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.738062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.490328 (E_RNA)
where:
Base-Base interactions energy: -1510.885
where: short stacking energy: -634.830
Base-Backbone interact. energy: 0.968
local terms energy: -714.572747
where:
bonds (distance) C4'-P energy: -139.978
bonds (distance) P-C4' energy: -136.031
flat angles C4'-P-C4' energy: -158.467
flat angles P-C4'-P energy: -99.346
tors. eta vs tors. theta energy: -180.751
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: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2091.483238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.483238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.429122 (E_RNA)
where:
Base-Base interactions energy: -1410.157
where: short stacking energy: -587.097
Base-Backbone interact. energy: -1.594
local terms energy: -681.678291
where:
bonds (distance) C4'-P energy: -136.379
bonds (distance) P-C4' energy: -134.779
flat angles C4'-P-C4' energy: -141.384
flat angles P-C4'-P energy: -110.810
tors. eta vs tors. theta energy: -158.327
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: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1962.283418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.283418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.196213 (E_RNA)
where:
Base-Base interactions energy: -1325.173
where: short stacking energy: -554.564
Base-Backbone interact. energy: 1.960
local terms energy: -641.983282
where:
bonds (distance) C4'-P energy: -129.016
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -132.974
flat angles P-C4'-P energy: -100.547
tors. eta vs tors. theta energy: -141.199
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1937.330885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.330885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.566532 (E_RNA)
where:
Base-Base interactions energy: -1323.387
where: short stacking energy: -541.436
Base-Backbone interact. energy: -0.481
local terms energy: -617.698885
where:
bonds (distance) C4'-P energy: -136.884
bonds (distance) P-C4' energy: -136.785
flat angles C4'-P-C4' energy: -122.881
flat angles P-C4'-P energy: -79.503
tors. eta vs tors. theta energy: -141.645
Dist. restrs. and SS energy: 4.236 (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: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1878.293188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.293188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.050138 (E_RNA)
where:
Base-Base interactions energy: -1268.915
where: short stacking energy: -514.190
Base-Backbone interact. energy: 0.563
local terms energy: -612.698157
where:
bonds (distance) C4'-P energy: -106.891
bonds (distance) P-C4' energy: -132.792
flat angles C4'-P-C4' energy: -140.680
flat angles P-C4'-P energy: -89.330
tors. eta vs tors. theta energy: -143.005
Dist. restrs. and SS energy: 2.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2932.044369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.044369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.244685 (E_RNA)
where:
Base-Base interactions energy: -2043.607
where: short stacking energy: -825.141
Base-Backbone interact. energy: -1.675
local terms energy: -887.963028
where:
bonds (distance) C4'-P energy: -160.422
bonds (distance) P-C4' energy: -158.489
flat angles C4'-P-C4' energy: -193.240
flat angles P-C4'-P energy: -128.605
tors. eta vs tors. theta energy: -247.206
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: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2802.735852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.735852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.124841 (E_RNA)
where:
Base-Base interactions energy: -1914.985
where: short stacking energy: -801.829
Base-Backbone interact. energy: -3.446
local terms energy: -885.693819
where:
bonds (distance) C4'-P energy: -173.554
bonds (distance) P-C4' energy: -165.512
flat angles C4'-P-C4' energy: -182.813
flat angles P-C4'-P energy: -129.649
tors. eta vs tors. theta energy: -234.167
Dist. restrs. and SS energy: 1.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2692.764846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.764846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.000674 (E_RNA)
where:
Base-Base interactions energy: -1836.668
where: short stacking energy: -781.676
Base-Backbone interact. energy: -2.524
local terms energy: -854.809054
where:
bonds (distance) C4'-P energy: -150.834
bonds (distance) P-C4' energy: -165.946
flat angles C4'-P-C4' energy: -189.656
flat angles P-C4'-P energy: -118.268
tors. eta vs tors. theta energy: -230.106
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2555.275032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.275032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.021124 (E_RNA)
where:
Base-Base interactions energy: -1775.425
where: short stacking energy: -748.380
Base-Backbone interact. energy: -4.796
local terms energy: -776.800003
where:
bonds (distance) C4'-P energy: -119.479
bonds (distance) P-C4' energy: -160.129
flat angles C4'-P-C4' energy: -179.029
flat angles P-C4'-P energy: -92.384
tors. eta vs tors. theta energy: -225.780
Dist. restrs. and SS energy: 1.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2356.507675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.507675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.974244 (E_RNA)
where:
Base-Base interactions energy: -1623.905
where: short stacking energy: -679.898
Base-Backbone interact. energy: -2.694
local terms energy: -731.375719
where:
bonds (distance) C4'-P energy: -128.313
bonds (distance) P-C4' energy: -140.257
flat angles C4'-P-C4' energy: -149.595
flat angles P-C4'-P energy: -124.927
tors. eta vs tors. theta energy: -188.283
Dist. restrs. and SS energy: 1.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2270.164720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.164720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.055824 (E_RNA)
where:
Base-Base interactions energy: -1544.228
where: short stacking energy: -660.593
Base-Backbone interact. energy: -1.018
local terms energy: -728.810007
where:
bonds (distance) C4'-P energy: -149.971
bonds (distance) P-C4' energy: -145.711
flat angles C4'-P-C4' energy: -147.432
flat angles P-C4'-P energy: -100.342
tors. eta vs tors. theta energy: -185.353
Dist. restrs. and SS energy: 3.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2154.898553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.898553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.963070 (E_RNA)
where:
Base-Base interactions energy: -1464.976
where: short stacking energy: -633.156
Base-Backbone interact. energy: 5.642
local terms energy: -699.628691
where:
bonds (distance) C4'-P energy: -124.566
bonds (distance) P-C4' energy: -139.501
flat angles C4'-P-C4' energy: -146.892
flat angles P-C4'-P energy: -105.949
tors. eta vs tors. theta energy: -182.721
Dist. restrs. and SS energy: 4.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1989.709077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.709077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.171254 (E_RNA)
where:
Base-Base interactions energy: -1333.727
where: short stacking energy: -582.989
Base-Backbone interact. energy: 5.485
local terms energy: -664.928702
where:
bonds (distance) C4'-P energy: -134.707
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -130.551
flat angles P-C4'-P energy: -106.471
tors. eta vs tors. theta energy: -149.886
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1951.177839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.177839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.139564 (E_RNA)
where:
Base-Base interactions energy: -1355.285
where: short stacking energy: -554.973
Base-Backbone interact. energy: 2.229
local terms energy: -600.083121
where:
bonds (distance) C4'-P energy: -135.546
bonds (distance) P-C4' energy: -109.010
flat angles C4'-P-C4' energy: -110.947
flat angles P-C4'-P energy: -99.171
tors. eta vs tors. theta energy: -145.409
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: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1859.173945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.173945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.809247 (E_RNA)
where:
Base-Base interactions energy: -1265.928
where: short stacking energy: -544.140
Base-Backbone interact. energy: -1.934
local terms energy: -595.947258
where:
bonds (distance) C4'-P energy: -116.584
bonds (distance) P-C4' energy: -116.390
flat angles C4'-P-C4' energy: -142.793
flat angles P-C4'-P energy: -83.414
tors. eta vs tors. theta energy: -136.767
Dist. restrs. and SS energy: 4.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2924.621743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.621743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.181799 (E_RNA)
where:
Base-Base interactions energy: -2065.280
where: short stacking energy: -865.579
Base-Backbone interact. energy: 2.243
local terms energy: -863.144356
where:
bonds (distance) C4'-P energy: -152.066
bonds (distance) P-C4' energy: -146.609
flat angles C4'-P-C4' energy: -189.418
flat angles P-C4'-P energy: -117.630
tors. eta vs tors. theta energy: -257.422
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2796.242736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.242736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.673617 (E_RNA)
where:
Base-Base interactions energy: -1938.566
where: short stacking energy: -791.870
Base-Backbone interact. energy: -6.541
local terms energy: -852.566042
where:
bonds (distance) C4'-P energy: -170.265
bonds (distance) P-C4' energy: -157.788
flat angles C4'-P-C4' energy: -171.188
flat angles P-C4'-P energy: -133.675
tors. eta vs tors. theta energy: -219.651
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2689.649171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.649171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.449213 (E_RNA)
where:
Base-Base interactions energy: -1871.673
where: short stacking energy: -763.377
Base-Backbone interact. energy: -2.998
local terms energy: -816.778105
where:
bonds (distance) C4'-P energy: -142.130
bonds (distance) P-C4' energy: -163.050
flat angles C4'-P-C4' energy: -178.081
flat angles P-C4'-P energy: -109.552
tors. eta vs tors. theta energy: -223.965
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: 367
Temperature: 1.050000
Total energy: -2575.572658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.572658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.467996 (E_RNA)
where:
Base-Base interactions energy: -1755.585
where: short stacking energy: -755.252
Base-Backbone interact. energy: -3.652
local terms energy: -818.230586
where:
bonds (distance) C4'-P energy: -143.855
bonds (distance) P-C4' energy: -160.044
flat angles C4'-P-C4' energy: -181.648
flat angles P-C4'-P energy: -113.249
tors. eta vs tors. theta energy: -219.434
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: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2361.163865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.163865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.097992 (E_RNA)
where:
Base-Base interactions energy: -1610.290
where: short stacking energy: -700.261
Base-Backbone interact. energy: -2.913
local terms energy: -749.894570
where:
bonds (distance) C4'-P energy: -140.704
bonds (distance) P-C4' energy: -129.164
flat angles C4'-P-C4' energy: -176.184
flat angles P-C4'-P energy: -106.087
tors. eta vs tors. theta energy: -197.755
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2215.564384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.564384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.083330 (E_RNA)
where:
Base-Base interactions energy: -1487.387
where: short stacking energy: -650.463
Base-Backbone interact. energy: -0.310
local terms energy: -731.386647
where:
bonds (distance) C4'-P energy: -131.730
bonds (distance) P-C4' energy: -159.541
flat angles C4'-P-C4' energy: -161.329
flat angles P-C4'-P energy: -89.721
tors. eta vs tors. theta energy: -189.066
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2130.081469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.081469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.251071 (E_RNA)
where:
Base-Base interactions energy: -1437.187
where: short stacking energy: -604.492
Base-Backbone interact. energy: 1.503
local terms energy: -697.567684
where:
bonds (distance) C4'-P energy: -141.407
bonds (distance) P-C4' energy: -132.368
flat angles C4'-P-C4' energy: -159.917
flat angles P-C4'-P energy: -99.469
tors. eta vs tors. theta energy: -164.407
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: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2081.102532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.102532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.982582 (E_RNA)
where:
Base-Base interactions energy: -1415.013
where: short stacking energy: -610.586
Base-Backbone interact. energy: 0.001
local terms energy: -668.970098
where:
bonds (distance) C4'-P energy: -120.623
bonds (distance) P-C4' energy: -134.690
flat angles C4'-P-C4' energy: -144.685
flat angles P-C4'-P energy: -103.416
tors. eta vs tors. theta energy: -165.557
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1940.585550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.585550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.615227 (E_RNA)
where:
Base-Base interactions energy: -1327.325
where: short stacking energy: -566.113
Base-Backbone interact. energy: 6.655
local terms energy: -621.945993
where:
bonds (distance) C4'-P energy: -125.256
bonds (distance) P-C4' energy: -109.758
flat angles C4'-P-C4' energy: -150.036
flat angles P-C4'-P energy: -88.459
tors. eta vs tors. theta energy: -148.437
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1847.331802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.331802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.752111 (E_RNA)
where:
Base-Base interactions energy: -1239.380
where: short stacking energy: -515.132
Base-Backbone interact. energy: 3.045
local terms energy: -613.417311
where:
bonds (distance) C4'-P energy: -143.656
bonds (distance) P-C4' energy: -127.254
flat angles C4'-P-C4' energy: -123.999
flat angles P-C4'-P energy: -88.293
tors. eta vs tors. theta energy: -130.215
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: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2928.847427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.847427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.289096 (E_RNA)
where:
Base-Base interactions energy: -2023.500
where: short stacking energy: -859.646
Base-Backbone interact. energy: -3.059
local terms energy: -904.730495
where:
bonds (distance) C4'-P energy: -171.437
bonds (distance) P-C4' energy: -169.101
flat angles C4'-P-C4' energy: -189.217
flat angles P-C4'-P energy: -126.605
tors. eta vs tors. theta energy: -248.370
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2770.451649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.451649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.587161 (E_RNA)
where:
Base-Base interactions energy: -1928.909
where: short stacking energy: -803.779
Base-Backbone interact. energy: 0.916
local terms energy: -843.593944
where:
bonds (distance) C4'-P energy: -159.798
bonds (distance) P-C4' energy: -172.844
flat angles C4'-P-C4' energy: -168.107
flat angles P-C4'-P energy: -115.615
tors. eta vs tors. theta energy: -227.229
Dist. restrs. and SS energy: 1.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2612.528174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.528174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.891806 (E_RNA)
where:
Base-Base interactions energy: -1819.618
where: short stacking energy: -749.927
Base-Backbone interact. energy: -2.374
local terms energy: -791.900420
where:
bonds (distance) C4'-P energy: -157.225
bonds (distance) P-C4' energy: -137.467
flat angles C4'-P-C4' energy: -165.246
flat angles P-C4'-P energy: -114.124
tors. eta vs tors. theta energy: -217.838
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: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2654.388152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.388152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.602361 (E_RNA)
where:
Base-Base interactions energy: -1840.879
where: short stacking energy: -739.459
Base-Backbone interact. energy: 1.182
local terms energy: -815.905064
where:
bonds (distance) C4'-P energy: -147.766
bonds (distance) P-C4' energy: -150.448
flat angles C4'-P-C4' energy: -179.281
flat angles P-C4'-P energy: -114.907
tors. eta vs tors. theta energy: -223.503
Dist. restrs. and SS energy: 1.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2305.293574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.293574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.846745 (E_RNA)
where:
Base-Base interactions energy: -1550.301
where: short stacking energy: -652.138
Base-Backbone interact. energy: 2.771
local terms energy: -761.316994
where:
bonds (distance) C4'-P energy: -158.389
bonds (distance) P-C4' energy: -150.415
flat angles C4'-P-C4' energy: -154.536
flat angles P-C4'-P energy: -100.910
tors. eta vs tors. theta energy: -197.066
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: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2312.121778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.121778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.476801 (E_RNA)
where:
Base-Base interactions energy: -1595.230
where: short stacking energy: -700.519
Base-Backbone interact. energy: -0.875
local terms energy: -719.372073
where:
bonds (distance) C4'-P energy: -137.935
bonds (distance) P-C4' energy: -123.797
flat angles C4'-P-C4' energy: -154.667
flat angles P-C4'-P energy: -104.635
tors. eta vs tors. theta energy: -198.338
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2094.391645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.391645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.465230 (E_RNA)
where:
Base-Base interactions energy: -1456.592
where: short stacking energy: -599.323
Base-Backbone interact. energy: 5.922
local terms energy: -647.795047
where:
bonds (distance) C4'-P energy: -129.315
bonds (distance) P-C4' energy: -125.761
flat angles C4'-P-C4' energy: -158.068
flat angles P-C4'-P energy: -84.113
tors. eta vs tors. theta energy: -150.538
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: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2057.607496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.607496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.151600 (E_RNA)
where:
Base-Base interactions energy: -1395.534
where: short stacking energy: -604.733
Base-Backbone interact. energy: 3.097
local terms energy: -667.714050
where:
bonds (distance) C4'-P energy: -115.435
bonds (distance) P-C4' energy: -129.620
flat angles C4'-P-C4' energy: -144.411
flat angles P-C4'-P energy: -104.622
tors. eta vs tors. theta energy: -173.625
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: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1942.101854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.101854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.039307 (E_RNA)
where:
Base-Base interactions energy: -1332.373
where: short stacking energy: -547.464
Base-Backbone interact. energy: -3.819
local terms energy: -608.847043
where:
bonds (distance) C4'-P energy: -124.861
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -137.478
flat angles P-C4'-P energy: -96.271
tors. eta vs tors. theta energy: -133.004
Dist. restrs. and SS energy: 2.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1816.952467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.952467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.000447 (E_RNA)
where:
Base-Base interactions energy: -1231.799
where: short stacking energy: -505.951
Base-Backbone interact. energy: -2.731
local terms energy: -588.470199
where:
bonds (distance) C4'-P energy: -137.912
bonds (distance) P-C4' energy: -121.204
flat angles C4'-P-C4' energy: -126.612
flat angles P-C4'-P energy: -79.099
tors. eta vs tors. theta energy: -123.644
Dist. restrs. and SS energy: 6.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2926.591615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.591615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.567448 (E_RNA)
where:
Base-Base interactions energy: -2073.616
where: short stacking energy: -857.347
Base-Backbone interact. energy: -4.790
local terms energy: -849.160864
where:
bonds (distance) C4'-P energy: -160.965
bonds (distance) P-C4' energy: -150.361
flat angles C4'-P-C4' energy: -179.799
flat angles P-C4'-P energy: -118.829
tors. eta vs tors. theta energy: -239.208
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: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2794.565966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.565966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.780410 (E_RNA)
where:
Base-Base interactions energy: -1936.167
where: short stacking energy: -806.892
Base-Backbone interact. energy: -0.664
local terms energy: -859.949401
where:
bonds (distance) C4'-P energy: -171.639
bonds (distance) P-C4' energy: -151.601
flat angles C4'-P-C4' energy: -180.382
flat angles P-C4'-P energy: -118.428
tors. eta vs tors. theta energy: -237.900
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: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2633.882874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.882874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.676552 (E_RNA)
where:
Base-Base interactions energy: -1841.670
where: short stacking energy: -775.688
Base-Backbone interact. energy: -3.587
local terms energy: -790.419283
where:
bonds (distance) C4'-P energy: -144.650
bonds (distance) P-C4' energy: -149.928
flat angles C4'-P-C4' energy: -165.573
flat angles P-C4'-P energy: -107.197
tors. eta vs tors. theta energy: -223.071
Dist. restrs. and SS energy: 1.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2612.894216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.894216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.122099 (E_RNA)
where:
Base-Base interactions energy: -1833.714
where: short stacking energy: -779.506
Base-Backbone interact. energy: 1.256
local terms energy: -782.664327
where:
bonds (distance) C4'-P energy: -155.773
bonds (distance) P-C4' energy: -139.299
flat angles C4'-P-C4' energy: -173.611
flat angles P-C4'-P energy: -93.629
tors. eta vs tors. theta energy: -220.351
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: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2320.474571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.474571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.196512 (E_RNA)
where:
Base-Base interactions energy: -1560.499
where: short stacking energy: -665.343
Base-Backbone interact. energy: -1.515
local terms energy: -761.182750
where:
bonds (distance) C4'-P energy: -142.813
bonds (distance) P-C4' energy: -169.938
flat angles C4'-P-C4' energy: -149.610
flat angles P-C4'-P energy: -115.686
tors. eta vs tors. theta energy: -183.136
Dist. restrs. and SS energy: 2.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2293.934220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.934220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.840993 (E_RNA)
where:
Base-Base interactions energy: -1562.588
where: short stacking energy: -666.221
Base-Backbone interact. energy: -1.343
local terms energy: -732.910823
where:
bonds (distance) C4'-P energy: -144.394
bonds (distance) P-C4' energy: -142.681
flat angles C4'-P-C4' energy: -151.797
flat angles P-C4'-P energy: -104.978
tors. eta vs tors. theta energy: -189.061
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2148.258418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.258418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.007900 (E_RNA)
where:
Base-Base interactions energy: -1460.199
where: short stacking energy: -617.202
Base-Backbone interact. energy: -0.171
local terms energy: -690.638047
where:
bonds (distance) C4'-P energy: -126.130
bonds (distance) P-C4' energy: -146.908
flat angles C4'-P-C4' energy: -163.309
flat angles P-C4'-P energy: -90.525
tors. eta vs tors. theta energy: -163.767
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: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1994.567970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.567970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.562629 (E_RNA)
where:
Base-Base interactions energy: -1391.355
where: short stacking energy: -581.097
Base-Backbone interact. energy: -2.983
local terms energy: -602.225434
where:
bonds (distance) C4'-P energy: -124.235
bonds (distance) P-C4' energy: -126.719
flat angles C4'-P-C4' energy: -148.334
flat angles P-C4'-P energy: -63.048
tors. eta vs tors. theta energy: -139.889
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1928.428790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.428790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.085767 (E_RNA)
where:
Base-Base interactions energy: -1305.167
where: short stacking energy: -531.625
Base-Backbone interact. energy: -0.612
local terms energy: -625.306469
where:
bonds (distance) C4'-P energy: -106.820
bonds (distance) P-C4' energy: -146.351
flat angles C4'-P-C4' energy: -149.908
flat angles P-C4'-P energy: -82.989
tors. eta vs tors. theta energy: -139.238
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1822.886519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.886519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.097336 (E_RNA)
where:
Base-Base interactions energy: -1228.996
where: short stacking energy: -516.864
Base-Backbone interact. energy: -1.257
local terms energy: -599.844397
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -147.441
flat angles C4'-P-C4' energy: -144.794
flat angles P-C4'-P energy: -75.006
tors. eta vs tors. theta energy: -114.728
Dist. restrs. and SS energy: 7.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2904.336958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.336958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.225288 (E_RNA)
where:
Base-Base interactions energy: -2026.922
where: short stacking energy: -835.238
Base-Backbone interact. energy: -0.861
local terms energy: -877.442960
where:
bonds (distance) C4'-P energy: -148.648
bonds (distance) P-C4' energy: -173.814
flat angles C4'-P-C4' energy: -185.352
flat angles P-C4'-P energy: -129.248
tors. eta vs tors. theta energy: -240.381
Dist. restrs. and SS energy: 0.888 (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: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2776.584356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.584356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.208004 (E_RNA)
where:
Base-Base interactions energy: -1928.137
where: short stacking energy: -809.892
Base-Backbone interact. energy: -3.569
local terms energy: -846.502020
where:
bonds (distance) C4'-P energy: -164.036
bonds (distance) P-C4' energy: -161.474
flat angles C4'-P-C4' energy: -177.091
flat angles P-C4'-P energy: -119.333
tors. eta vs tors. theta energy: -224.568
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2710.544081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.544081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.942030 (E_RNA)
where:
Base-Base interactions energy: -1878.250
where: short stacking energy: -780.910
Base-Backbone interact. energy: -4.227
local terms energy: -829.464517
where:
bonds (distance) C4'-P energy: -153.149
bonds (distance) P-C4' energy: -164.983
flat angles C4'-P-C4' energy: -169.602
flat angles P-C4'-P energy: -111.443
tors. eta vs tors. theta energy: -230.288
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2636.184627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.184627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.134618 (E_RNA)
where:
Base-Base interactions energy: -1864.396
where: short stacking energy: -773.605
Base-Backbone interact. energy: 0.249
local terms energy: -773.986978
where:
bonds (distance) C4'-P energy: -130.876
bonds (distance) P-C4' energy: -138.267
flat angles C4'-P-C4' energy: -167.094
flat angles P-C4'-P energy: -123.760
tors. eta vs tors. theta energy: -213.990
Dist. restrs. and SS energy: 1.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2409.149800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.149800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.166186 (E_RNA)
where:
Base-Base interactions energy: -1644.271
where: short stacking energy: -723.472
Base-Backbone interact. energy: -0.214
local terms energy: -766.681314
where:
bonds (distance) C4'-P energy: -144.594
bonds (distance) P-C4' energy: -141.220
flat angles C4'-P-C4' energy: -170.121
flat angles P-C4'-P energy: -118.417
tors. eta vs tors. theta energy: -192.329
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: 370
Temperature: 1.150000
Total energy: -2245.865168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.865168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.675871 (E_RNA)
where:
Base-Base interactions energy: -1513.558
where: short stacking energy: -650.429
Base-Backbone interact. energy: -1.389
local terms energy: -733.729060
where:
bonds (distance) C4'-P energy: -135.048
bonds (distance) P-C4' energy: -143.880
flat angles C4'-P-C4' energy: -155.884
flat angles P-C4'-P energy: -108.353
tors. eta vs tors. theta energy: -190.564
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: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2193.083714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.083714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.481374 (E_RNA)
where:
Base-Base interactions energy: -1486.913
where: short stacking energy: -631.942
Base-Backbone interact. energy: -1.276
local terms energy: -708.292491
where:
bonds (distance) C4'-P energy: -137.308
bonds (distance) P-C4' energy: -132.183
flat angles C4'-P-C4' energy: -167.921
flat angles P-C4'-P energy: -101.006
tors. eta vs tors. theta energy: -169.874
Dist. restrs. and SS energy: 3.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2030.049883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.229034 (E_RNA)
where:
Base-Base interactions energy: -1362.499
where: short stacking energy: -584.101
Base-Backbone interact. energy: 0.843
local terms energy: -670.572505
where:
bonds (distance) C4'-P energy: -124.422
bonds (distance) P-C4' energy: -143.025
flat angles C4'-P-C4' energy: -149.364
flat angles P-C4'-P energy: -93.955
tors. eta vs tors. theta energy: -159.807
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1988.771612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.771612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.854469 (E_RNA)
where:
Base-Base interactions energy: -1344.801
where: short stacking energy: -573.084
Base-Backbone interact. energy: 1.294
local terms energy: -647.347689
where:
bonds (distance) C4'-P energy: -121.197
bonds (distance) P-C4' energy: -142.379
flat angles C4'-P-C4' energy: -147.507
flat angles P-C4'-P energy: -86.059
tors. eta vs tors. theta energy: -150.205
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: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1857.777422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.777422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.854504 (E_RNA)
where:
Base-Base interactions energy: -1281.604
where: short stacking energy: -529.362
Base-Backbone interact. energy: 3.875
local terms energy: -584.125605
where:
bonds (distance) C4'-P energy: -136.036
bonds (distance) P-C4' energy: -134.643
flat angles C4'-P-C4' energy: -108.085
flat angles P-C4'-P energy: -85.836
tors. eta vs tors. theta energy: -119.525
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: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2922.597487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.597487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.839566 (E_RNA)
where:
Base-Base interactions energy: -2028.517
where: short stacking energy: -873.929
Base-Backbone interact. energy: -2.849
local terms energy: -893.473671
where:
bonds (distance) C4'-P energy: -152.513
bonds (distance) P-C4' energy: -155.962
flat angles C4'-P-C4' energy: -199.071
flat angles P-C4'-P energy: -135.632
tors. eta vs tors. theta energy: -250.295
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: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2808.736924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.736924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.343941 (E_RNA)
where:
Base-Base interactions energy: -1928.442
where: short stacking energy: -807.005
Base-Backbone interact. energy: -1.686
local terms energy: -880.216194
where:
bonds (distance) C4'-P energy: -156.691
bonds (distance) P-C4' energy: -162.628
flat angles C4'-P-C4' energy: -189.274
flat angles P-C4'-P energy: -125.456
tors. eta vs tors. theta energy: -246.166
Dist. restrs. and SS energy: 1.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2687.243038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.243038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.463695 (E_RNA)
where:
Base-Base interactions energy: -1887.604
where: short stacking energy: -778.798
Base-Backbone interact. energy: -0.696
local terms energy: -800.164601
where:
bonds (distance) C4'-P energy: -131.300
bonds (distance) P-C4' energy: -167.585
flat angles C4'-P-C4' energy: -180.750
flat angles P-C4'-P energy: -92.056
tors. eta vs tors. theta energy: -228.473
Dist. restrs. and SS energy: 1.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2600.041270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.041270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.066019 (E_RNA)
where:
Base-Base interactions energy: -1774.391
where: short stacking energy: -764.020
Base-Backbone interact. energy: 0.156
local terms energy: -827.831090
where:
bonds (distance) C4'-P energy: -154.280
bonds (distance) P-C4' energy: -142.471
flat angles C4'-P-C4' energy: -185.569
flat angles P-C4'-P energy: -120.635
tors. eta vs tors. theta energy: -224.876
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: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2380.518629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.518629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.984909 (E_RNA)
where:
Base-Base interactions energy: -1621.785
where: short stacking energy: -649.840
Base-Backbone interact. energy: -3.742
local terms energy: -756.458019
where:
bonds (distance) C4'-P energy: -144.048
bonds (distance) P-C4' energy: -151.366
flat angles C4'-P-C4' energy: -171.431
flat angles P-C4'-P energy: -113.053
tors. eta vs tors. theta energy: -176.560
Dist. restrs. and SS energy: 1.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2294.106474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.106474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.668170 (E_RNA)
where:
Base-Base interactions energy: -1546.547
where: short stacking energy: -654.156
Base-Backbone interact. energy: -4.042
local terms energy: -745.079200
where:
bonds (distance) C4'-P energy: -151.402
bonds (distance) P-C4' energy: -146.451
flat angles C4'-P-C4' energy: -156.512
flat angles P-C4'-P energy: -110.614
tors. eta vs tors. theta energy: -180.100
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: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2190.092840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.092840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.231329 (E_RNA)
where:
Base-Base interactions energy: -1508.336
where: short stacking energy: -666.967
Base-Backbone interact. energy: 2.007
local terms energy: -687.902321
where:
bonds (distance) C4'-P energy: -126.036
bonds (distance) P-C4' energy: -128.207
flat angles C4'-P-C4' energy: -152.388
flat angles P-C4'-P energy: -102.332
tors. eta vs tors. theta energy: -178.939
Dist. restrs. and SS energy: 4.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2035.237184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.237184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.971218 (E_RNA)
where:
Base-Base interactions energy: -1365.353
where: short stacking energy: -594.521
Base-Backbone interact. energy: 1.200
local terms energy: -672.818278
where:
bonds (distance) C4'-P energy: -139.080
bonds (distance) P-C4' energy: -135.306
flat angles C4'-P-C4' energy: -140.616
flat angles P-C4'-P energy: -115.290
tors. eta vs tors. theta energy: -142.526
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: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1950.110392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.110392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.027066 (E_RNA)
where:
Base-Base interactions energy: -1317.462
where: short stacking energy: -559.354
Base-Backbone interact. energy: -1.662
local terms energy: -632.903004
where:
bonds (distance) C4'-P energy: -114.338
bonds (distance) P-C4' energy: -140.017
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -89.366
tors. eta vs tors. theta energy: -155.727
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: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1864.469106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.469106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.660759 (E_RNA)
where:
Base-Base interactions energy: -1307.313
where: short stacking energy: -531.175
Base-Backbone interact. energy: 5.436
local terms energy: -568.783799
where:
bonds (distance) C4'-P energy: -102.743
bonds (distance) P-C4' energy: -122.209
flat angles C4'-P-C4' energy: -135.013
flat angles P-C4'-P energy: -85.777
tors. eta vs tors. theta energy: -123.042
Dist. restrs. and SS energy: 6.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2865.605449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.605449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.234813 (E_RNA)
where:
Base-Base interactions energy: -2010.694
where: short stacking energy: -827.177
Base-Backbone interact. energy: 2.686
local terms energy: -859.226327
where:
bonds (distance) C4'-P energy: -160.856
bonds (distance) P-C4' energy: -163.280
flat angles C4'-P-C4' energy: -176.794
flat angles P-C4'-P energy: -122.680
tors. eta vs tors. theta energy: -235.616
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: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2861.059072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.059072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.348182 (E_RNA)
where:
Base-Base interactions energy: -1980.262
where: short stacking energy: -825.417
Base-Backbone interact. energy: -3.625
local terms energy: -878.461087
where:
bonds (distance) C4'-P energy: -167.202
bonds (distance) P-C4' energy: -147.385
flat angles C4'-P-C4' energy: -192.753
flat angles P-C4'-P energy: -123.883
tors. eta vs tors. theta energy: -247.238
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2743.379090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.379090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.603024 (E_RNA)
where:
Base-Base interactions energy: -1859.766
where: short stacking energy: -775.432
Base-Backbone interact. energy: -3.101
local terms energy: -882.736063
where:
bonds (distance) C4'-P energy: -164.329
bonds (distance) P-C4' energy: -159.734
flat angles C4'-P-C4' energy: -171.138
flat angles P-C4'-P energy: -143.142
tors. eta vs tors. theta energy: -244.393
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2605.146850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.146850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.263183 (E_RNA)
where:
Base-Base interactions energy: -1803.089
where: short stacking energy: -746.780
Base-Backbone interact. energy: -2.637
local terms energy: -801.536910
where:
bonds (distance) C4'-P energy: -150.029
bonds (distance) P-C4' energy: -135.566
flat angles C4'-P-C4' energy: -170.110
flat angles P-C4'-P energy: -122.639
tors. eta vs tors. theta energy: -223.193
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2394.396000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.396000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.113405 (E_RNA)
where:
Base-Base interactions energy: -1640.339
where: short stacking energy: -708.164
Base-Backbone interact. energy: -3.711
local terms energy: -753.063366
where:
bonds (distance) C4'-P energy: -142.747
bonds (distance) P-C4' energy: -142.335
flat angles C4'-P-C4' energy: -169.604
flat angles P-C4'-P energy: -108.990
tors. eta vs tors. theta energy: -189.386
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: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2274.108548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.731226 (E_RNA)
where:
Base-Base interactions energy: -1559.924
where: short stacking energy: -667.205
Base-Backbone interact. energy: -1.235
local terms energy: -714.572668
where:
bonds (distance) C4'-P energy: -144.142
bonds (distance) P-C4' energy: -150.261
flat angles C4'-P-C4' energy: -139.140
flat angles P-C4'-P energy: -99.768
tors. eta vs tors. theta energy: -181.261
Dist. restrs. and SS energy: 1.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2194.268256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.268256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.180748 (E_RNA)
where:
Base-Base interactions energy: -1505.860
where: short stacking energy: -646.466
Base-Backbone interact. energy: -2.151
local terms energy: -689.170208
where:
bonds (distance) C4'-P energy: -145.270
bonds (distance) P-C4' energy: -130.338
flat angles C4'-P-C4' energy: -159.301
flat angles P-C4'-P energy: -88.618
tors. eta vs tors. theta energy: -165.643
Dist. restrs. and SS energy: 2.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2044.770893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.770893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.857437 (E_RNA)
where:
Base-Base interactions energy: -1370.408
where: short stacking energy: -602.249
Base-Backbone interact. energy: -3.984
local terms energy: -673.465012
where:
bonds (distance) C4'-P energy: -123.444
bonds (distance) P-C4' energy: -141.135
flat angles C4'-P-C4' energy: -142.273
flat angles P-C4'-P energy: -105.498
tors. eta vs tors. theta energy: -161.115
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1991.164726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.164726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.673061 (E_RNA)
where:
Base-Base interactions energy: -1320.694
where: short stacking energy: -565.898
Base-Backbone interact. energy: 0.009
local terms energy: -674.988074
where:
bonds (distance) C4'-P energy: -130.934
bonds (distance) P-C4' energy: -135.001
flat angles C4'-P-C4' energy: -162.398
flat angles P-C4'-P energy: -89.650
tors. eta vs tors. theta energy: -157.005
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: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1930.371931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.371931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.524838 (E_RNA)
where:
Base-Base interactions energy: -1337.555
where: short stacking energy: -576.436
Base-Backbone interact. energy: 1.757
local terms energy: -596.726925
where:
bonds (distance) C4'-P energy: -139.344
bonds (distance) P-C4' energy: -92.709
flat angles C4'-P-C4' energy: -136.042
flat angles P-C4'-P energy: -65.124
tors. eta vs tors. theta energy: -163.508
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2892.328998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.328998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.898273 (E_RNA)
where:
Base-Base interactions energy: -2004.259
where: short stacking energy: -829.447
Base-Backbone interact. energy: -0.356
local terms energy: -889.283728
where:
bonds (distance) C4'-P energy: -152.532
bonds (distance) P-C4' energy: -174.287
flat angles C4'-P-C4' energy: -176.861
flat angles P-C4'-P energy: -138.002
tors. eta vs tors. theta energy: -247.601
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2842.255960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.255960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.328990 (E_RNA)
where:
Base-Base interactions energy: -1974.163
where: short stacking energy: -826.140
Base-Backbone interact. energy: -4.434
local terms energy: -865.732320
where:
bonds (distance) C4'-P energy: -159.781
bonds (distance) P-C4' energy: -167.216
flat angles C4'-P-C4' energy: -186.197
flat angles P-C4'-P energy: -114.362
tors. eta vs tors. theta energy: -238.176
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: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2703.568846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.568846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.740850 (E_RNA)
where:
Base-Base interactions energy: -1867.036
where: short stacking energy: -773.886
Base-Backbone interact. energy: 0.857
local terms energy: -839.561560
where:
bonds (distance) C4'-P energy: -146.539
bonds (distance) P-C4' energy: -161.027
flat angles C4'-P-C4' energy: -175.157
flat angles P-C4'-P energy: -118.539
tors. eta vs tors. theta energy: -238.300
Dist. restrs. and SS energy: 2.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2626.587355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.587355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.283925 (E_RNA)
where:
Base-Base interactions energy: -1801.520
where: short stacking energy: -761.661
Base-Backbone interact. energy: -3.618
local terms energy: -823.145384
where:
bonds (distance) C4'-P energy: -135.869
bonds (distance) P-C4' energy: -157.152
flat angles C4'-P-C4' energy: -182.184
flat angles P-C4'-P energy: -112.602
tors. eta vs tors. theta energy: -235.338
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: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2340.064738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.064738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.195882 (E_RNA)
where:
Base-Base interactions energy: -1622.371
where: short stacking energy: -706.852
Base-Backbone interact. energy: 7.694
local terms energy: -727.518616
where:
bonds (distance) C4'-P energy: -136.001
bonds (distance) P-C4' energy: -145.446
flat angles C4'-P-C4' energy: -149.467
flat angles P-C4'-P energy: -104.811
tors. eta vs tors. theta energy: -191.794
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: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2301.928132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.928132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.527274 (E_RNA)
where:
Base-Base interactions energy: -1565.669
where: short stacking energy: -641.651
Base-Backbone interact. energy: 4.736
local terms energy: -743.594613
where:
bonds (distance) C4'-P energy: -143.853
bonds (distance) P-C4' energy: -145.012
flat angles C4'-P-C4' energy: -170.713
flat angles P-C4'-P energy: -102.776
tors. eta vs tors. theta energy: -181.241
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: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2179.657236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.657236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.983788 (E_RNA)
where:
Base-Base interactions energy: -1452.764
where: short stacking energy: -618.632
Base-Backbone interact. energy: -1.310
local terms energy: -730.909610
where:
bonds (distance) C4'-P energy: -150.081
bonds (distance) P-C4' energy: -119.910
flat angles C4'-P-C4' energy: -154.522
flat angles P-C4'-P energy: -116.092
tors. eta vs tors. theta energy: -190.304
Dist. restrs. and SS energy: 5.327 (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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2053.771836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.771836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.642607 (E_RNA)
where:
Base-Base interactions energy: -1370.846
where: short stacking energy: -580.721
Base-Backbone interact. energy: -4.100
local terms energy: -680.696024
where:
bonds (distance) C4'-P energy: -135.281
bonds (distance) P-C4' energy: -134.526
flat angles C4'-P-C4' energy: -147.973
flat angles P-C4'-P energy: -92.497
tors. eta vs tors. theta energy: -170.418
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1993.325070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.325070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.395210 (E_RNA)
where:
Base-Base interactions energy: -1307.266
where: short stacking energy: -545.884
Base-Backbone interact. energy: -1.982
local terms energy: -687.147140
where:
bonds (distance) C4'-P energy: -136.813
bonds (distance) P-C4' energy: -155.769
flat angles C4'-P-C4' energy: -136.705
flat angles P-C4'-P energy: -107.134
tors. eta vs tors. theta energy: -150.726
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1875.571474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.571474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.037273 (E_RNA)
where:
Base-Base interactions energy: -1286.516
where: short stacking energy: -526.169
Base-Backbone interact. energy: 2.443
local terms energy: -594.963951
where:
bonds (distance) C4'-P energy: -118.589
bonds (distance) P-C4' energy: -119.230
flat angles C4'-P-C4' energy: -133.077
flat angles P-C4'-P energy: -94.405
tors. eta vs tors. theta energy: -129.662
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2887.799498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.799498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.646779 (E_RNA)
where:
Base-Base interactions energy: -2003.443
where: short stacking energy: -854.526
Base-Backbone interact. energy: -4.174
local terms energy: -883.029941
where:
bonds (distance) C4'-P energy: -163.273
bonds (distance) P-C4' energy: -174.450
flat angles C4'-P-C4' energy: -172.853
flat angles P-C4'-P energy: -115.036
tors. eta vs tors. theta energy: -257.419
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: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2850.410523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.410523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.063119 (E_RNA)
where:
Base-Base interactions energy: -1991.595
where: short stacking energy: -840.224
Base-Backbone interact. energy: 1.088
local terms energy: -861.555719
where:
bonds (distance) C4'-P energy: -138.452
bonds (distance) P-C4' energy: -161.345
flat angles C4'-P-C4' energy: -178.569
flat angles P-C4'-P energy: -129.547
tors. eta vs tors. theta energy: -253.643
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2694.803042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.803042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.845835 (E_RNA)
where:
Base-Base interactions energy: -1856.138
where: short stacking energy: -772.326
Base-Backbone interact. energy: -2.917
local terms energy: -837.790926
where:
bonds (distance) C4'-P energy: -151.142
bonds (distance) P-C4' energy: -158.180
flat angles C4'-P-C4' energy: -176.386
flat angles P-C4'-P energy: -119.781
tors. eta vs tors. theta energy: -232.302
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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2635.087705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.087705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.999803 (E_RNA)
where:
Base-Base interactions energy: -1813.186
where: short stacking energy: -747.544
Base-Backbone interact. energy: 3.797
local terms energy: -826.610419
where:
bonds (distance) C4'-P energy: -152.505
bonds (distance) P-C4' energy: -145.668
flat angles C4'-P-C4' energy: -166.048
flat angles P-C4'-P energy: -121.033
tors. eta vs tors. theta energy: -241.356
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2387.516374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.516374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.454703 (E_RNA)
where:
Base-Base interactions energy: -1654.934
where: short stacking energy: -699.875
Base-Backbone interact. energy: 6.608
local terms energy: -740.129208
where:
bonds (distance) C4'-P energy: -147.690
bonds (distance) P-C4' energy: -144.665
flat angles C4'-P-C4' energy: -161.117
flat angles P-C4'-P energy: -92.326
tors. eta vs tors. theta energy: -194.330
Dist. restrs. and SS energy: 0.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2256.660531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.660531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.612483 (E_RNA)
where:
Base-Base interactions energy: -1529.444
where: short stacking energy: -661.663
Base-Backbone interact. energy: 1.656
local terms energy: -729.824425
where:
bonds (distance) C4'-P energy: -143.217
bonds (distance) P-C4' energy: -142.717
flat angles C4'-P-C4' energy: -155.738
flat angles P-C4'-P energy: -97.193
tors. eta vs tors. theta energy: -190.959
Dist. restrs. and SS energy: 0.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2195.755356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.755356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.662527 (E_RNA)
where:
Base-Base interactions energy: -1474.099
where: short stacking energy: -642.400
Base-Backbone interact. energy: 1.430
local terms energy: -725.993333
where:
bonds (distance) C4'-P energy: -126.345
bonds (distance) P-C4' energy: -159.141
flat angles C4'-P-C4' energy: -156.035
flat angles P-C4'-P energy: -106.546
tors. eta vs tors. theta energy: -177.926
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2146.812397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.812397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.811865 (E_RNA)
where:
Base-Base interactions energy: -1461.352
where: short stacking energy: -594.844
Base-Backbone interact. energy: -1.913
local terms energy: -686.546394
where:
bonds (distance) C4'-P energy: -129.289
bonds (distance) P-C4' energy: -154.381
flat angles C4'-P-C4' energy: -158.828
flat angles P-C4'-P energy: -85.664
tors. eta vs tors. theta energy: -158.384
Dist. restrs. and SS energy: 2.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1940.804686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.804686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.624869 (E_RNA)
where:
Base-Base interactions energy: -1314.776
where: short stacking energy: -548.576
Base-Backbone interact. energy: 5.372
local terms energy: -633.220274
where:
bonds (distance) C4'-P energy: -130.688
bonds (distance) P-C4' energy: -116.826
flat angles C4'-P-C4' energy: -161.325
flat angles P-C4'-P energy: -85.547
tors. eta vs tors. theta energy: -138.834
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1893.451554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.451554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.630039 (E_RNA)
where:
Base-Base interactions energy: -1262.447
where: short stacking energy: -508.260
Base-Backbone interact. energy: -5.494
local terms energy: -627.689947
where:
bonds (distance) C4'-P energy: -144.349
bonds (distance) P-C4' energy: -152.709
flat angles C4'-P-C4' energy: -129.203
flat angles P-C4'-P energy: -79.139
tors. eta vs tors. theta energy: -122.290
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2891.111279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.111279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.629242 (E_RNA)
where:
Base-Base interactions energy: -2006.403
where: short stacking energy: -823.931
Base-Backbone interact. energy: -1.088
local terms energy: -886.138119
where:
bonds (distance) C4'-P energy: -159.676
bonds (distance) P-C4' energy: -181.362
flat angles C4'-P-C4' energy: -188.177
flat angles P-C4'-P energy: -122.213
tors. eta vs tors. theta energy: -234.711
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: 375
Temperature: 0.950000
Total energy: -2859.946663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.946663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.477118 (E_RNA)
where:
Base-Base interactions energy: -1982.713
where: short stacking energy: -854.504
Base-Backbone interact. energy: -3.864
local terms energy: -874.899881
where:
bonds (distance) C4'-P energy: -150.790
bonds (distance) P-C4' energy: -159.838
flat angles C4'-P-C4' energy: -178.369
flat angles P-C4'-P energy: -134.434
tors. eta vs tors. theta energy: -251.469
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: 375
Temperature: 1.000000
Total energy: -2722.918095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.791297 (E_RNA)
where:
Base-Base interactions energy: -1881.927
where: short stacking energy: -826.892
Base-Backbone interact. energy: 0.779
local terms energy: -843.643064
where:
bonds (distance) C4'-P energy: -139.001
bonds (distance) P-C4' energy: -186.208
flat angles C4'-P-C4' energy: -167.208
flat angles P-C4'-P energy: -112.630
tors. eta vs tors. theta energy: -238.596
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2659.226360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.226360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.073562 (E_RNA)
where:
Base-Base interactions energy: -1820.780
where: short stacking energy: -763.180
Base-Backbone interact. energy: -1.904
local terms energy: -838.390046
where:
bonds (distance) C4'-P energy: -168.272
bonds (distance) P-C4' energy: -148.691
flat angles C4'-P-C4' energy: -176.036
flat angles P-C4'-P energy: -123.858
tors. eta vs tors. theta energy: -221.533
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2400.256433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.256433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.367938 (E_RNA)
where:
Base-Base interactions energy: -1642.457
where: short stacking energy: -682.436
Base-Backbone interact. energy: -3.364
local terms energy: -756.547230
where:
bonds (distance) C4'-P energy: -141.061
bonds (distance) P-C4' energy: -156.981
flat angles C4'-P-C4' energy: -148.339
flat angles P-C4'-P energy: -115.935
tors. eta vs tors. theta energy: -194.232
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: 375
Temperature: 1.150000
Total energy: -2254.110064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.110064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.921328 (E_RNA)
where:
Base-Base interactions energy: -1536.756
where: short stacking energy: -662.173
Base-Backbone interact. energy: 2.490
local terms energy: -721.655446
where:
bonds (distance) C4'-P energy: -123.630
bonds (distance) P-C4' energy: -129.400
flat angles C4'-P-C4' energy: -170.130
flat angles P-C4'-P energy: -113.679
tors. eta vs tors. theta energy: -184.816
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: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2076.894160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.894160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.358191 (E_RNA)
where:
Base-Base interactions energy: -1414.274
where: short stacking energy: -626.429
Base-Backbone interact. energy: 1.402
local terms energy: -666.486203
where:
bonds (distance) C4'-P energy: -119.678
bonds (distance) P-C4' energy: -138.515
flat angles C4'-P-C4' energy: -145.412
flat angles P-C4'-P energy: -87.834
tors. eta vs tors. theta energy: -175.048
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: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2184.557902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.557902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.636053 (E_RNA)
where:
Base-Base interactions energy: -1493.012
where: short stacking energy: -601.552
Base-Backbone interact. energy: -1.402
local terms energy: -693.221941
where:
bonds (distance) C4'-P energy: -126.450
bonds (distance) P-C4' energy: -141.904
flat angles C4'-P-C4' energy: -164.919
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -171.639
Dist. restrs. and SS energy: 3.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1937.473196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.473196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.024266 (E_RNA)
where:
Base-Base interactions energy: -1299.130
where: short stacking energy: -548.594
Base-Backbone interact. energy: 1.695
local terms energy: -644.588949
where:
bonds (distance) C4'-P energy: -139.533
bonds (distance) P-C4' energy: -115.203
flat angles C4'-P-C4' energy: -152.219
flat angles P-C4'-P energy: -94.786
tors. eta vs tors. theta energy: -142.848
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1871.809832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.809832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.347261 (E_RNA)
where:
Base-Base interactions energy: -1290.747
where: short stacking energy: -542.659
Base-Backbone interact. energy: 1.467
local terms energy: -585.067871
where:
bonds (distance) C4'-P energy: -138.791
bonds (distance) P-C4' energy: -112.103
flat angles C4'-P-C4' energy: -130.734
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -129.973
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2903.917669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.917669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.142727 (E_RNA)
where:
Base-Base interactions energy: -1988.524
where: short stacking energy: -816.822
Base-Backbone interact. energy: -1.912
local terms energy: -916.706142
where:
bonds (distance) C4'-P energy: -172.780
bonds (distance) P-C4' energy: -183.796
flat angles C4'-P-C4' energy: -184.219
flat angles P-C4'-P energy: -135.045
tors. eta vs tors. theta energy: -240.866
Dist. restrs. and SS energy: 3.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2831.489025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.489025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.604843 (E_RNA)
where:
Base-Base interactions energy: -2001.174
where: short stacking energy: -850.972
Base-Backbone interact. energy: 2.300
local terms energy: -834.730857
where:
bonds (distance) C4'-P energy: -143.959
bonds (distance) P-C4' energy: -137.652
flat angles C4'-P-C4' energy: -180.917
flat angles P-C4'-P energy: -124.393
tors. eta vs tors. theta energy: -247.810
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: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2665.569872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.569872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.818186 (E_RNA)
where:
Base-Base interactions energy: -1839.209
where: short stacking energy: -777.274
Base-Backbone interact. energy: -2.627
local terms energy: -825.982228
where:
bonds (distance) C4'-P energy: -151.865
bonds (distance) P-C4' energy: -162.900
flat angles C4'-P-C4' energy: -169.357
flat angles P-C4'-P energy: -119.222
tors. eta vs tors. theta energy: -222.640
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2620.527613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.527613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.417400 (E_RNA)
where:
Base-Base interactions energy: -1808.794
where: short stacking energy: -725.494
Base-Backbone interact. energy: 0.909
local terms energy: -814.531985
where:
bonds (distance) C4'-P energy: -137.190
bonds (distance) P-C4' energy: -163.364
flat angles C4'-P-C4' energy: -178.240
flat angles P-C4'-P energy: -121.291
tors. eta vs tors. theta energy: -214.447
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2510.697033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.697033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.829045 (E_RNA)
where:
Base-Base interactions energy: -1765.545
where: short stacking energy: -726.683
Base-Backbone interact. energy: 3.114
local terms energy: -750.397894
where:
bonds (distance) C4'-P energy: -121.016
bonds (distance) P-C4' energy: -147.731
flat angles C4'-P-C4' energy: -149.380
flat angles P-C4'-P energy: -127.651
tors. eta vs tors. theta energy: -204.620
Dist. restrs. and SS energy: 2.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2277.852618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.852618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.056409 (E_RNA)
where:
Base-Base interactions energy: -1572.913
where: short stacking energy: -674.919
Base-Backbone interact. energy: -2.707
local terms energy: -704.435467
where:
bonds (distance) C4'-P energy: -129.891
bonds (distance) P-C4' energy: -131.921
flat angles C4'-P-C4' energy: -152.472
flat angles P-C4'-P energy: -104.087
tors. eta vs tors. theta energy: -186.065
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: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2211.739424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.739424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.429699 (E_RNA)
where:
Base-Base interactions energy: -1515.840
where: short stacking energy: -617.862
Base-Backbone interact. energy: 2.554
local terms energy: -702.143243
where:
bonds (distance) C4'-P energy: -151.985
bonds (distance) P-C4' energy: -126.703
flat angles C4'-P-C4' energy: -149.578
flat angles P-C4'-P energy: -84.227
tors. eta vs tors. theta energy: -189.650
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1987.078416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.078416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.138422 (E_RNA)
where:
Base-Base interactions energy: -1338.200
where: short stacking energy: -564.753
Base-Backbone interact. energy: -1.955
local terms energy: -648.983290
where:
bonds (distance) C4'-P energy: -129.211
bonds (distance) P-C4' energy: -134.364
flat angles C4'-P-C4' energy: -137.762
flat angles P-C4'-P energy: -95.124
tors. eta vs tors. theta energy: -152.522
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1887.024956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.024956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.753754 (E_RNA)
where:
Base-Base interactions energy: -1245.302
where: short stacking energy: -513.674
Base-Backbone interact. energy: -3.679
local terms energy: -645.772771
where:
bonds (distance) C4'-P energy: -137.526
bonds (distance) P-C4' energy: -140.768
flat angles C4'-P-C4' energy: -150.814
flat angles P-C4'-P energy: -86.903
tors. eta vs tors. theta energy: -129.762
Dist. restrs. and SS energy: 7.729 (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: 376
Temperature: 1.350000
Total energy: -1819.360866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.360866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.412849 (E_RNA)
where:
Base-Base interactions energy: -1262.147
where: short stacking energy: -522.195
Base-Backbone interact. energy: 8.860
local terms energy: -569.125924
where:
bonds (distance) C4'-P energy: -134.506
bonds (distance) P-C4' energy: -130.394
flat angles C4'-P-C4' energy: -120.171
flat angles P-C4'-P energy: -67.659
tors. eta vs tors. theta energy: -116.397
Dist. restrs. and SS energy: 3.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2929.224841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.224841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.016447 (E_RNA)
where:
Base-Base interactions energy: -2042.433
where: short stacking energy: -849.410
Base-Backbone interact. energy: -3.624
local terms energy: -885.959513
where:
bonds (distance) C4'-P energy: -154.094
bonds (distance) P-C4' energy: -157.215
flat angles C4'-P-C4' energy: -192.402
flat angles P-C4'-P energy: -122.530
tors. eta vs tors. theta energy: -259.718
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2812.188756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.188756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.869262 (E_RNA)
where:
Base-Base interactions energy: -1950.065
where: short stacking energy: -821.522
Base-Backbone interact. energy: -0.584
local terms energy: -863.220259
where:
bonds (distance) C4'-P energy: -148.286
bonds (distance) P-C4' energy: -168.391
flat angles C4'-P-C4' energy: -177.058
flat angles P-C4'-P energy: -128.824
tors. eta vs tors. theta energy: -240.661
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: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2673.034755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.034755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.298365 (E_RNA)
where:
Base-Base interactions energy: -1861.120
where: short stacking energy: -790.890
Base-Backbone interact. energy: 5.384
local terms energy: -819.562018
where:
bonds (distance) C4'-P energy: -140.744
bonds (distance) P-C4' energy: -143.124
flat angles C4'-P-C4' energy: -184.159
flat angles P-C4'-P energy: -127.973
tors. eta vs tors. theta energy: -223.563
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2642.187473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.187473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.867656 (E_RNA)
where:
Base-Base interactions energy: -1843.097
where: short stacking energy: -752.704
Base-Backbone interact. energy: -2.624
local terms energy: -798.146128
where:
bonds (distance) C4'-P energy: -145.919
bonds (distance) P-C4' energy: -143.159
flat angles C4'-P-C4' energy: -162.559
flat angles P-C4'-P energy: -115.773
tors. eta vs tors. theta energy: -230.736
Dist. restrs. and SS energy: 1.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2438.178799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.178799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.839572 (E_RNA)
where:
Base-Base interactions energy: -1697.400
where: short stacking energy: -674.512
Base-Backbone interact. energy: -4.197
local terms energy: -738.242841
where:
bonds (distance) C4'-P energy: -124.154
bonds (distance) P-C4' energy: -157.518
flat angles C4'-P-C4' energy: -170.448
flat angles P-C4'-P energy: -100.630
tors. eta vs tors. theta energy: -185.494
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: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2249.647602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.647602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.643499 (E_RNA)
where:
Base-Base interactions energy: -1531.994
where: short stacking energy: -647.957
Base-Backbone interact. energy: 0.205
local terms energy: -719.854008
where:
bonds (distance) C4'-P energy: -130.118
bonds (distance) P-C4' energy: -138.783
flat angles C4'-P-C4' energy: -157.032
flat angles P-C4'-P energy: -109.509
tors. eta vs tors. theta energy: -184.411
Dist. restrs. and SS energy: 1.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2199.754697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.754697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.252998 (E_RNA)
where:
Base-Base interactions energy: -1529.531
where: short stacking energy: -624.424
Base-Backbone interact. energy: 3.197
local terms energy: -675.919308
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -132.076
flat angles C4'-P-C4' energy: -153.420
flat angles P-C4'-P energy: -105.759
tors. eta vs tors. theta energy: -172.147
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1972.471743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.471743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.000909 (E_RNA)
where:
Base-Base interactions energy: -1332.547
where: short stacking energy: -542.591
Base-Backbone interact. energy: 7.405
local terms energy: -649.858467
where:
bonds (distance) C4'-P energy: -129.556
bonds (distance) P-C4' energy: -151.691
flat angles C4'-P-C4' energy: -148.449
flat angles P-C4'-P energy: -91.211
tors. eta vs tors. theta energy: -128.952
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: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1890.468237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.740957 (E_RNA)
where:
Base-Base interactions energy: -1250.670
where: short stacking energy: -538.228
Base-Backbone interact. energy: -2.814
local terms energy: -640.256382
where:
bonds (distance) C4'-P energy: -125.033
bonds (distance) P-C4' energy: -136.970
flat angles C4'-P-C4' energy: -147.478
flat angles P-C4'-P energy: -96.223
tors. eta vs tors. theta energy: -134.552
Dist. restrs. and SS energy: 3.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1862.472899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.472899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.245330 (E_RNA)
where:
Base-Base interactions energy: -1276.867
where: short stacking energy: -521.794
Base-Backbone interact. energy: -3.876
local terms energy: -584.502660
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -117.715
flat angles C4'-P-C4' energy: -119.114
flat angles P-C4'-P energy: -87.728
tors. eta vs tors. theta energy: -142.069
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2893.859143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.859143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.789498 (E_RNA)
where:
Base-Base interactions energy: -2005.261
where: short stacking energy: -839.052
Base-Backbone interact. energy: -3.566
local terms energy: -887.962901
where:
bonds (distance) C4'-P energy: -182.435
bonds (distance) P-C4' energy: -167.337
flat angles C4'-P-C4' energy: -174.900
flat angles P-C4'-P energy: -125.854
tors. eta vs tors. theta energy: -237.436
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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2820.183878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.183878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.079941 (E_RNA)
where:
Base-Base interactions energy: -1929.345
where: short stacking energy: -808.048
Base-Backbone interact. energy: -5.304
local terms energy: -886.431513
where:
bonds (distance) C4'-P energy: -146.821
bonds (distance) P-C4' energy: -174.073
flat angles C4'-P-C4' energy: -187.491
flat angles P-C4'-P energy: -128.087
tors. eta vs tors. theta energy: -249.960
Dist. restrs. and SS energy: 0.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2669.463802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.463802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.357946 (E_RNA)
where:
Base-Base interactions energy: -1854.862
where: short stacking energy: -789.034
Base-Backbone interact. energy: -2.409
local terms energy: -814.087268
where:
bonds (distance) C4'-P energy: -153.801
bonds (distance) P-C4' energy: -164.590
flat angles C4'-P-C4' energy: -171.611
flat angles P-C4'-P energy: -106.446
tors. eta vs tors. theta energy: -217.639
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: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2589.188666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.188666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.985092 (E_RNA)
where:
Base-Base interactions energy: -1782.237
where: short stacking energy: -747.379
Base-Backbone interact. energy: -2.289
local terms energy: -807.459101
where:
bonds (distance) C4'-P energy: -143.937
bonds (distance) P-C4' energy: -150.988
flat angles C4'-P-C4' energy: -185.865
flat angles P-C4'-P energy: -109.510
tors. eta vs tors. theta energy: -217.159
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: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2473.946429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.946429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.914165 (E_RNA)
where:
Base-Base interactions energy: -1686.607
where: short stacking energy: -689.558
Base-Backbone interact. energy: -0.853
local terms energy: -788.453953
where:
bonds (distance) C4'-P energy: -146.654
bonds (distance) P-C4' energy: -164.264
flat angles C4'-P-C4' energy: -169.624
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -201.259
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: 378
Temperature: 1.150000
Total energy: -2297.803400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.803400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.751377 (E_RNA)
where:
Base-Base interactions energy: -1534.249
where: short stacking energy: -660.500
Base-Backbone interact. energy: 4.193
local terms energy: -770.695654
where:
bonds (distance) C4'-P energy: -143.343
bonds (distance) P-C4' energy: -144.086
flat angles C4'-P-C4' energy: -171.052
flat angles P-C4'-P energy: -117.216
tors. eta vs tors. theta energy: -194.998
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: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2202.704849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.704849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.035159 (E_RNA)
where:
Base-Base interactions energy: -1498.222
where: short stacking energy: -632.209
Base-Backbone interact. energy: -3.635
local terms energy: -702.178676
where:
bonds (distance) C4'-P energy: -139.385
bonds (distance) P-C4' energy: -142.654
flat angles C4'-P-C4' energy: -156.633
flat angles P-C4'-P energy: -94.377
tors. eta vs tors. theta energy: -169.130
Dist. restrs. and SS energy: 1.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1961.842920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.842920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.726166 (E_RNA)
where:
Base-Base interactions energy: -1324.357
where: short stacking energy: -562.577
Base-Backbone interact. energy: -1.391
local terms energy: -638.978425
where:
bonds (distance) C4'-P energy: -117.457
bonds (distance) P-C4' energy: -145.056
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -82.151
tors. eta vs tors. theta energy: -140.431
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: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1917.841701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.841701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.988651 (E_RNA)
where:
Base-Base interactions energy: -1326.702
where: short stacking energy: -564.201
Base-Backbone interact. energy: -0.773
local terms energy: -592.514007
where:
bonds (distance) C4'-P energy: -104.382
bonds (distance) P-C4' energy: -112.465
flat angles C4'-P-C4' energy: -133.248
flat angles P-C4'-P energy: -90.245
tors. eta vs tors. theta energy: -152.174
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: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1836.687831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.687831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.324617 (E_RNA)
where:
Base-Base interactions energy: -1277.464
where: short stacking energy: -504.510
Base-Backbone interact. energy: -0.659
local terms energy: -561.201402
where:
bonds (distance) C4'-P energy: -117.439
bonds (distance) P-C4' energy: -131.651
flat angles C4'-P-C4' energy: -128.452
flat angles P-C4'-P energy: -78.291
tors. eta vs tors. theta energy: -105.369
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: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2885.611405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.611405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.518187 (E_RNA)
where:
Base-Base interactions energy: -2012.980
where: short stacking energy: -821.425
Base-Backbone interact. energy: -2.555
local terms energy: -871.982804
where:
bonds (distance) C4'-P energy: -152.908
bonds (distance) P-C4' energy: -165.962
flat angles C4'-P-C4' energy: -185.423
flat angles P-C4'-P energy: -128.436
tors. eta vs tors. theta energy: -239.254
Dist. restrs. and SS energy: 1.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2830.908174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.908174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.412907 (E_RNA)
where:
Base-Base interactions energy: -1954.346
where: short stacking energy: -830.771
Base-Backbone interact. energy: -1.958
local terms energy: -876.108639
where:
bonds (distance) C4'-P energy: -162.875
bonds (distance) P-C4' energy: -155.495
flat angles C4'-P-C4' energy: -173.457
flat angles P-C4'-P energy: -133.898
tors. eta vs tors. theta energy: -250.384
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2716.631805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.631805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.161291 (E_RNA)
where:
Base-Base interactions energy: -1877.865
where: short stacking energy: -785.159
Base-Backbone interact. energy: -2.671
local terms energy: -837.625317
where:
bonds (distance) C4'-P energy: -142.873
bonds (distance) P-C4' energy: -154.374
flat angles C4'-P-C4' energy: -178.089
flat angles P-C4'-P energy: -117.967
tors. eta vs tors. theta energy: -244.321
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2636.359873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.359873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.046493 (E_RNA)
where:
Base-Base interactions energy: -1837.160
where: short stacking energy: -749.085
Base-Backbone interact. energy: -2.003
local terms energy: -798.884181
where:
bonds (distance) C4'-P energy: -145.684
bonds (distance) P-C4' energy: -159.555
flat angles C4'-P-C4' energy: -170.235
flat angles P-C4'-P energy: -101.663
tors. eta vs tors. theta energy: -221.746
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: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2470.402431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.402431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.861286 (E_RNA)
where:
Base-Base interactions energy: -1690.314
where: short stacking energy: -696.871
Base-Backbone interact. energy: -0.937
local terms energy: -781.609716
where:
bonds (distance) C4'-P energy: -145.668
bonds (distance) P-C4' energy: -145.386
flat angles C4'-P-C4' energy: -155.345
flat angles P-C4'-P energy: -123.072
tors. eta vs tors. theta energy: -212.139
Dist. restrs. and SS energy: 2.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2289.095531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.095531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.785555 (E_RNA)
where:
Base-Base interactions energy: -1566.662
where: short stacking energy: -689.540
Base-Backbone interact. energy: 0.707
local terms energy: -724.830693
where:
bonds (distance) C4'-P energy: -150.752
bonds (distance) P-C4' energy: -130.781
flat angles C4'-P-C4' energy: -154.398
flat angles P-C4'-P energy: -113.124
tors. eta vs tors. theta energy: -175.776
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2201.381595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.381595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.032386 (E_RNA)
where:
Base-Base interactions energy: -1534.930
where: short stacking energy: -632.824
Base-Backbone interact. energy: 2.299
local terms energy: -671.400617
where:
bonds (distance) C4'-P energy: -131.183
bonds (distance) P-C4' energy: -129.763
flat angles C4'-P-C4' energy: -135.635
flat angles P-C4'-P energy: -99.006
tors. eta vs tors. theta energy: -175.814
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2008.708781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.708781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.211277 (E_RNA)
where:
Base-Base interactions energy: -1368.575
where: short stacking energy: -582.017
Base-Backbone interact. energy: 2.669
local terms energy: -647.305515
where:
bonds (distance) C4'-P energy: -129.273
bonds (distance) P-C4' energy: -130.934
flat angles C4'-P-C4' energy: -144.400
flat angles P-C4'-P energy: -82.031
tors. eta vs tors. theta energy: -160.667
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: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1894.223186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.223186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.735549 (E_RNA)
where:
Base-Base interactions energy: -1269.342
where: short stacking energy: -546.195
Base-Backbone interact. energy: 1.295
local terms energy: -628.688840
where:
bonds (distance) C4'-P energy: -141.842
bonds (distance) P-C4' energy: -123.257
flat angles C4'-P-C4' energy: -131.301
flat angles P-C4'-P energy: -97.195
tors. eta vs tors. theta energy: -135.093
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: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -1818.801440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.801440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.727261 (E_RNA)
where:
Base-Base interactions energy: -1262.265
where: short stacking energy: -528.511
Base-Backbone interact. energy: 2.782
local terms energy: -562.244023
where:
bonds (distance) C4'-P energy: -89.599
bonds (distance) P-C4' energy: -137.294
flat angles C4'-P-C4' energy: -135.710
flat angles P-C4'-P energy: -71.403
tors. eta vs tors. theta energy: -128.239
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: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2904.544447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.544447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.838130 (E_RNA)
where:
Base-Base interactions energy: -2035.912
where: short stacking energy: -845.415
Base-Backbone interact. energy: -2.256
local terms energy: -868.670048
where:
bonds (distance) C4'-P energy: -150.114
bonds (distance) P-C4' energy: -179.343
flat angles C4'-P-C4' energy: -190.851
flat angles P-C4'-P energy: -110.941
tors. eta vs tors. theta energy: -237.422
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: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2819.838712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.838712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.125458 (E_RNA)
where:
Base-Base interactions energy: -1973.846
where: short stacking energy: -842.402
Base-Backbone interact. energy: 5.117
local terms energy: -852.397043
where:
bonds (distance) C4'-P energy: -143.435
bonds (distance) P-C4' energy: -161.449
flat angles C4'-P-C4' energy: -178.325
flat angles P-C4'-P energy: -120.868
tors. eta vs tors. theta energy: -248.320
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: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2675.583171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.583171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.128603 (E_RNA)
where:
Base-Base interactions energy: -1844.545
where: short stacking energy: -788.246
Base-Backbone interact. energy: -2.431
local terms energy: -830.152343
where:
bonds (distance) C4'-P energy: -150.691
bonds (distance) P-C4' energy: -128.835
flat angles C4'-P-C4' energy: -183.223
flat angles P-C4'-P energy: -129.892
tors. eta vs tors. theta energy: -237.511
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2562.114621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.114621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.237109 (E_RNA)
where:
Base-Base interactions energy: -1750.043
where: short stacking energy: -747.710
Base-Backbone interact. energy: -0.099
local terms energy: -814.094721
where:
bonds (distance) C4'-P energy: -156.069
bonds (distance) P-C4' energy: -152.442
flat angles C4'-P-C4' energy: -172.354
flat angles P-C4'-P energy: -111.630
tors. eta vs tors. theta energy: -221.600
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2505.009488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.009488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.424101 (E_RNA)
where:
Base-Base interactions energy: -1739.469
where: short stacking energy: -757.373
Base-Backbone interact. energy: -1.190
local terms energy: -766.765512
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -144.878
flat angles C4'-P-C4' energy: -166.488
flat angles P-C4'-P energy: -113.974
tors. eta vs tors. theta energy: -214.153
Dist. restrs. and SS energy: 2.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2277.661072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.661072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.581075 (E_RNA)
where:
Base-Base interactions energy: -1539.258
where: short stacking energy: -655.837
Base-Backbone interact. energy: 1.820
local terms energy: -742.143144
where:
bonds (distance) C4'-P energy: -150.070
bonds (distance) P-C4' energy: -153.752
flat angles C4'-P-C4' energy: -146.811
flat angles P-C4'-P energy: -104.556
tors. eta vs tors. theta energy: -186.954
Dist. restrs. and SS energy: 1.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2130.088596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.088596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.267917 (E_RNA)
where:
Base-Base interactions energy: -1435.735
where: short stacking energy: -635.043
Base-Backbone interact. energy: 2.445
local terms energy: -699.978260
where:
bonds (distance) C4'-P energy: -146.699
bonds (distance) P-C4' energy: -115.774
flat angles C4'-P-C4' energy: -163.949
flat angles P-C4'-P energy: -99.866
tors. eta vs tors. theta energy: -173.691
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2032.926792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.926792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.149990 (E_RNA)
where:
Base-Base interactions energy: -1382.582
where: short stacking energy: -587.713
Base-Backbone interact. energy: -1.266
local terms energy: -652.301217
where:
bonds (distance) C4'-P energy: -115.950
bonds (distance) P-C4' energy: -115.136
flat angles C4'-P-C4' energy: -155.767
flat angles P-C4'-P energy: -101.497
tors. eta vs tors. theta energy: -163.951
Dist. restrs. and SS energy: 3.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1875.799871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.799871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.503831 (E_RNA)
where:
Base-Base interactions energy: -1302.133
where: short stacking energy: -520.187
Base-Backbone interact. energy: -1.044
local terms energy: -575.326199
where:
bonds (distance) C4'-P energy: -114.044
bonds (distance) P-C4' energy: -118.353
flat angles C4'-P-C4' energy: -132.661
flat angles P-C4'-P energy: -86.494
tors. eta vs tors. theta energy: -123.774
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: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1879.810411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.810411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.588945 (E_RNA)
where:
Base-Base interactions energy: -1270.955
where: short stacking energy: -532.457
Base-Backbone interact. energy: -2.688
local terms energy: -610.945981
where:
bonds (distance) C4'-P energy: -127.159
bonds (distance) P-C4' energy: -116.639
flat angles C4'-P-C4' energy: -137.247
flat angles P-C4'-P energy: -82.471
tors. eta vs tors. theta energy: -147.430
Dist. restrs. and SS energy: 4.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2917.519419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.519419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.668067 (E_RNA)
where:
Base-Base interactions energy: -2060.227
where: short stacking energy: -851.487
Base-Backbone interact. energy: -2.846
local terms energy: -856.595300
where:
bonds (distance) C4'-P energy: -146.225
bonds (distance) P-C4' energy: -155.886
flat angles C4'-P-C4' energy: -190.453
flat angles P-C4'-P energy: -125.269
tors. eta vs tors. theta energy: -238.763
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: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2788.499940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.499940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.262443 (E_RNA)
where:
Base-Base interactions energy: -1946.936
where: short stacking energy: -824.202
Base-Backbone interact. energy: -5.703
local terms energy: -837.623548
where:
bonds (distance) C4'-P energy: -150.284
bonds (distance) P-C4' energy: -153.791
flat angles C4'-P-C4' energy: -178.658
flat angles P-C4'-P energy: -110.730
tors. eta vs tors. theta energy: -244.161
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: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2708.136788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.136788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.526007 (E_RNA)
where:
Base-Base interactions energy: -1885.272
where: short stacking energy: -772.104
Base-Backbone interact. energy: 0.326
local terms energy: -825.579625
where:
bonds (distance) C4'-P energy: -149.398
bonds (distance) P-C4' energy: -148.528
flat angles C4'-P-C4' energy: -180.219
flat angles P-C4'-P energy: -121.902
tors. eta vs tors. theta energy: -225.532
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2565.453489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.453489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.607165 (E_RNA)
where:
Base-Base interactions energy: -1758.793
where: short stacking energy: -732.363
Base-Backbone interact. energy: -0.178
local terms energy: -808.636390
where:
bonds (distance) C4'-P energy: -142.272
bonds (distance) P-C4' energy: -166.415
flat angles C4'-P-C4' energy: -163.810
flat angles P-C4'-P energy: -115.069
tors. eta vs tors. theta energy: -221.070
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: 381
Temperature: 1.100000
Total energy: -2441.016786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.016786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.979704 (E_RNA)
where:
Base-Base interactions energy: -1667.716
where: short stacking energy: -718.796
Base-Backbone interact. energy: -3.315
local terms energy: -771.947893
where:
bonds (distance) C4'-P energy: -143.600
bonds (distance) P-C4' energy: -148.136
flat angles C4'-P-C4' energy: -160.726
flat angles P-C4'-P energy: -97.339
tors. eta vs tors. theta energy: -222.147
Dist. restrs. and SS energy: 1.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2297.154061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.154061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.216178 (E_RNA)
where:
Base-Base interactions energy: -1574.673
where: short stacking energy: -671.625
Base-Backbone interact. energy: 3.840
local terms energy: -728.383377
where:
bonds (distance) C4'-P energy: -133.758
bonds (distance) P-C4' energy: -159.994
flat angles C4'-P-C4' energy: -134.561
flat angles P-C4'-P energy: -114.714
tors. eta vs tors. theta energy: -185.356
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2139.466242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.466242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.447711 (E_RNA)
where:
Base-Base interactions energy: -1432.393
where: short stacking energy: -599.956
Base-Backbone interact. energy: -1.217
local terms energy: -707.837783
where:
bonds (distance) C4'-P energy: -141.330
bonds (distance) P-C4' energy: -141.049
flat angles C4'-P-C4' energy: -158.343
flat angles P-C4'-P energy: -103.631
tors. eta vs tors. theta energy: -163.485
Dist. restrs. and SS energy: 1.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2038.329231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.329231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.968313 (E_RNA)
where:
Base-Base interactions energy: -1378.875
where: short stacking energy: -589.615
Base-Backbone interact. energy: -1.313
local terms energy: -660.780244
where:
bonds (distance) C4'-P energy: -118.705
bonds (distance) P-C4' energy: -154.165
flat angles C4'-P-C4' energy: -156.170
flat angles P-C4'-P energy: -77.421
tors. eta vs tors. theta energy: -154.320
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: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1910.644186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.644186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.738878 (E_RNA)
where:
Base-Base interactions energy: -1273.792
where: short stacking energy: -521.777
Base-Backbone interact. energy: -0.152
local terms energy: -640.795220
where:
bonds (distance) C4'-P energy: -163.345
bonds (distance) P-C4' energy: -152.670
flat angles C4'-P-C4' energy: -124.913
flat angles P-C4'-P energy: -74.130
tors. eta vs tors. theta energy: -125.737
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: 381
Temperature: 1.350000
Total energy: -1882.022049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.022049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.140267 (E_RNA)
where:
Base-Base interactions energy: -1245.693
where: short stacking energy: -528.573
Base-Backbone interact. energy: 0.781
local terms energy: -639.227965
where:
bonds (distance) C4'-P energy: -135.963
bonds (distance) P-C4' energy: -128.215
flat angles C4'-P-C4' energy: -137.957
flat angles P-C4'-P energy: -92.158
tors. eta vs tors. theta energy: -144.936
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: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2917.136297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.136297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.973209 (E_RNA)
where:
Base-Base interactions energy: -2057.088
where: short stacking energy: -838.592
Base-Backbone interact. energy: -3.172
local terms energy: -857.713892
where:
bonds (distance) C4'-P energy: -147.163
bonds (distance) P-C4' energy: -160.710
flat angles C4'-P-C4' energy: -191.685
flat angles P-C4'-P energy: -119.802
tors. eta vs tors. theta energy: -238.354
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: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2859.522326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.522326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.172917 (E_RNA)
where:
Base-Base interactions energy: -1992.760
where: short stacking energy: -835.489
Base-Backbone interact. energy: -4.955
local terms energy: -864.457913
where:
bonds (distance) C4'-P energy: -162.060
bonds (distance) P-C4' energy: -152.985
flat angles C4'-P-C4' energy: -189.405
flat angles P-C4'-P energy: -120.468
tors. eta vs tors. theta energy: -239.541
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2690.658379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.658379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.250832 (E_RNA)
where:
Base-Base interactions energy: -1877.387
where: short stacking energy: -796.536
Base-Backbone interact. energy: -4.019
local terms energy: -810.845325
where:
bonds (distance) C4'-P energy: -141.349
bonds (distance) P-C4' energy: -161.914
flat angles C4'-P-C4' energy: -182.380
flat angles P-C4'-P energy: -108.079
tors. eta vs tors. theta energy: -217.123
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2597.809383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.809383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.576838 (E_RNA)
where:
Base-Base interactions energy: -1811.724
where: short stacking energy: -770.943
Base-Backbone interact. energy: 2.224
local terms energy: -791.076844
where:
bonds (distance) C4'-P energy: -146.197
bonds (distance) P-C4' energy: -154.064
flat angles C4'-P-C4' energy: -165.785
flat angles P-C4'-P energy: -82.092
tors. eta vs tors. theta energy: -242.938
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: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2492.737218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.737218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.145238 (E_RNA)
where:
Base-Base interactions energy: -1710.562
where: short stacking energy: -696.938
Base-Backbone interact. energy: -4.610
local terms energy: -779.972900
where:
bonds (distance) C4'-P energy: -150.585
bonds (distance) P-C4' energy: -151.541
flat angles C4'-P-C4' energy: -166.487
flat angles P-C4'-P energy: -123.283
tors. eta vs tors. theta energy: -188.077
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: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2270.429332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.429332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.118334 (E_RNA)
where:
Base-Base interactions energy: -1553.647
where: short stacking energy: -669.480
Base-Backbone interact. energy: -1.486
local terms energy: -717.986039
where:
bonds (distance) C4'-P energy: -119.573
bonds (distance) P-C4' energy: -146.967
flat angles C4'-P-C4' energy: -170.444
flat angles P-C4'-P energy: -104.122
tors. eta vs tors. theta energy: -176.880
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: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2121.329412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.329412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.004056 (E_RNA)
where:
Base-Base interactions energy: -1442.504
where: short stacking energy: -609.978
Base-Backbone interact. energy: -0.340
local terms energy: -681.159398
where:
bonds (distance) C4'-P energy: -138.430
bonds (distance) P-C4' energy: -143.659
flat angles C4'-P-C4' energy: -150.136
flat angles P-C4'-P energy: -86.735
tors. eta vs tors. theta energy: -162.200
Dist. restrs. and SS energy: 2.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2080.154691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.154691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.300811 (E_RNA)
where:
Base-Base interactions energy: -1400.621
where: short stacking energy: -573.961
Base-Backbone interact. energy: 4.450
local terms energy: -688.128990
where:
bonds (distance) C4'-P energy: -153.050
bonds (distance) P-C4' energy: -151.726
flat angles C4'-P-C4' energy: -137.501
flat angles P-C4'-P energy: -98.282
tors. eta vs tors. theta energy: -147.570
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1917.534417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.534417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.034771 (E_RNA)
where:
Base-Base interactions energy: -1336.283
where: short stacking energy: -552.012
Base-Backbone interact. energy: -3.902
local terms energy: -581.849418
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -137.838
flat angles C4'-P-C4' energy: -139.153
flat angles P-C4'-P energy: -69.128
tors. eta vs tors. theta energy: -129.094
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: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1797.455569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.455569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.250691 (E_RNA)
where:
Base-Base interactions energy: -1234.536
where: short stacking energy: -507.623
Base-Backbone interact. energy: 0.814
local terms energy: -567.528313
where:
bonds (distance) C4'-P energy: -115.668
bonds (distance) P-C4' energy: -139.394
flat angles C4'-P-C4' energy: -120.032
flat angles P-C4'-P energy: -61.505
tors. eta vs tors. theta energy: -130.929
Dist. restrs. and SS energy: 3.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2848.353095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.353095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.843590 (E_RNA)
where:
Base-Base interactions energy: -1983.532
where: short stacking energy: -801.256
Base-Backbone interact. energy: 0.200
local terms energy: -866.511905
where:
bonds (distance) C4'-P energy: -163.221
bonds (distance) P-C4' energy: -158.746
flat angles C4'-P-C4' energy: -184.452
flat angles P-C4'-P energy: -131.046
tors. eta vs tors. theta energy: -229.048
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: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2837.038323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.038323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.041003 (E_RNA)
where:
Base-Base interactions energy: -1962.798
where: short stacking energy: -827.448
Base-Backbone interact. energy: -1.264
local terms energy: -874.979141
where:
bonds (distance) C4'-P energy: -161.043
bonds (distance) P-C4' energy: -159.655
flat angles C4'-P-C4' energy: -184.445
flat angles P-C4'-P energy: -125.471
tors. eta vs tors. theta energy: -244.365
Dist. restrs. and SS energy: 2.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2723.370655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.370655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.190740 (E_RNA)
where:
Base-Base interactions energy: -1867.324
where: short stacking energy: -798.840
Base-Backbone interact. energy: -2.482
local terms energy: -856.384712
where:
bonds (distance) C4'-P energy: -168.227
bonds (distance) P-C4' energy: -168.783
flat angles C4'-P-C4' energy: -175.360
flat angles P-C4'-P energy: -113.799
tors. eta vs tors. theta energy: -230.216
Dist. restrs. and SS energy: 2.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2579.527887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.527887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.699742 (E_RNA)
where:
Base-Base interactions energy: -1787.682
where: short stacking energy: -747.746
Base-Backbone interact. energy: 4.789
local terms energy: -798.806781
where:
bonds (distance) C4'-P energy: -155.929
bonds (distance) P-C4' energy: -154.816
flat angles C4'-P-C4' energy: -161.123
flat angles P-C4'-P energy: -109.079
tors. eta vs tors. theta energy: -217.860
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: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2474.628085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.628085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.869876 (E_RNA)
where:
Base-Base interactions energy: -1704.266
where: short stacking energy: -706.303
Base-Backbone interact. energy: 1.352
local terms energy: -773.955627
where:
bonds (distance) C4'-P energy: -154.808
bonds (distance) P-C4' energy: -156.167
flat angles C4'-P-C4' energy: -154.503
flat angles P-C4'-P energy: -105.314
tors. eta vs tors. theta energy: -203.164
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: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2276.620888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.620888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.728333 (E_RNA)
where:
Base-Base interactions energy: -1559.829
where: short stacking energy: -643.581
Base-Backbone interact. energy: -3.144
local terms energy: -716.755751
where:
bonds (distance) C4'-P energy: -114.962
bonds (distance) P-C4' energy: -144.759
flat angles C4'-P-C4' energy: -161.400
flat angles P-C4'-P energy: -112.332
tors. eta vs tors. theta energy: -183.303
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: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2113.689882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.689882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.203295 (E_RNA)
where:
Base-Base interactions energy: -1417.689
where: short stacking energy: -600.987
Base-Backbone interact. energy: -1.760
local terms energy: -696.754564
where:
bonds (distance) C4'-P energy: -152.852
bonds (distance) P-C4' energy: -142.954
flat angles C4'-P-C4' energy: -147.495
flat angles P-C4'-P energy: -89.617
tors. eta vs tors. theta energy: -163.837
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: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2094.261319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.261319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.987376 (E_RNA)
where:
Base-Base interactions energy: -1423.733
where: short stacking energy: -577.954
Base-Backbone interact. energy: -0.358
local terms energy: -671.896503
where:
bonds (distance) C4'-P energy: -133.710
bonds (distance) P-C4' energy: -136.267
flat angles C4'-P-C4' energy: -144.370
flat angles P-C4'-P energy: -93.541
tors. eta vs tors. theta energy: -164.008
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: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1954.158519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.158519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.429430 (E_RNA)
where:
Base-Base interactions energy: -1303.730
where: short stacking energy: -562.094
Base-Backbone interact. energy: 5.186
local terms energy: -658.885233
where:
bonds (distance) C4'-P energy: -140.978
bonds (distance) P-C4' energy: -137.333
flat angles C4'-P-C4' energy: -146.878
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -149.996
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: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1858.734444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.734444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.586298 (E_RNA)
where:
Base-Base interactions energy: -1273.157
where: short stacking energy: -517.487
Base-Backbone interact. energy: -2.301
local terms energy: -588.128357
where:
bonds (distance) C4'-P energy: -119.729
bonds (distance) P-C4' energy: -127.667
flat angles C4'-P-C4' energy: -128.548
flat angles P-C4'-P energy: -85.336
tors. eta vs tors. theta energy: -126.849
Dist. restrs. and SS energy: 4.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2936.434370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.434370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.286716 (E_RNA)
where:
Base-Base interactions energy: -2054.405
where: short stacking energy: -834.987
Base-Backbone interact. energy: -1.078
local terms energy: -883.803475
where:
bonds (distance) C4'-P energy: -156.915
bonds (distance) P-C4' energy: -163.004
flat angles C4'-P-C4' energy: -184.055
flat angles P-C4'-P energy: -141.595
tors. eta vs tors. theta energy: -238.235
Dist. restrs. and SS energy: 2.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2780.484241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.484241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.473130 (E_RNA)
where:
Base-Base interactions energy: -1925.312
where: short stacking energy: -810.139
Base-Backbone interact. energy: 0.226
local terms energy: -857.387608
where:
bonds (distance) C4'-P energy: -156.538
bonds (distance) P-C4' energy: -161.998
flat angles C4'-P-C4' energy: -183.081
flat angles P-C4'-P energy: -118.620
tors. eta vs tors. theta energy: -237.150
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: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2640.137403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.137403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.244924 (E_RNA)
where:
Base-Base interactions energy: -1814.008
where: short stacking energy: -769.192
Base-Backbone interact. energy: -2.511
local terms energy: -825.726361
where:
bonds (distance) C4'-P energy: -164.484
bonds (distance) P-C4' energy: -153.735
flat angles C4'-P-C4' energy: -164.268
flat angles P-C4'-P energy: -113.701
tors. eta vs tors. theta energy: -229.538
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: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2625.805730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.805730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.904589 (E_RNA)
where:
Base-Base interactions energy: -1798.488
where: short stacking energy: -726.075
Base-Backbone interact. energy: -1.373
local terms energy: -829.043558
where:
bonds (distance) C4'-P energy: -154.580
bonds (distance) P-C4' energy: -167.353
flat angles C4'-P-C4' energy: -170.361
flat angles P-C4'-P energy: -109.096
tors. eta vs tors. theta energy: -227.654
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2392.068073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.068073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.773003 (E_RNA)
where:
Base-Base interactions energy: -1659.315
where: short stacking energy: -676.317
Base-Backbone interact. energy: -4.494
local terms energy: -729.963552
where:
bonds (distance) C4'-P energy: -144.511
bonds (distance) P-C4' energy: -121.858
flat angles C4'-P-C4' energy: -163.882
flat angles P-C4'-P energy: -108.405
tors. eta vs tors. theta energy: -191.307
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2296.580792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.580792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.109340 (E_RNA)
where:
Base-Base interactions energy: -1573.066
where: short stacking energy: -671.156
Base-Backbone interact. energy: -1.436
local terms energy: -723.607547
where:
bonds (distance) C4'-P energy: -137.380
bonds (distance) P-C4' energy: -142.472
flat angles C4'-P-C4' energy: -146.174
flat angles P-C4'-P energy: -109.377
tors. eta vs tors. theta energy: -188.204
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: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2109.114702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.114702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.324431 (E_RNA)
where:
Base-Base interactions energy: -1440.920
where: short stacking energy: -616.501
Base-Backbone interact. energy: 11.683
local terms energy: -682.087832
where:
bonds (distance) C4'-P energy: -135.684
bonds (distance) P-C4' energy: -144.814
flat angles C4'-P-C4' energy: -151.013
flat angles P-C4'-P energy: -92.366
tors. eta vs tors. theta energy: -158.210
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: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2107.527058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.527058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.955936 (E_RNA)
where:
Base-Base interactions energy: -1445.632
where: short stacking energy: -617.948
Base-Backbone interact. energy: 0.155
local terms energy: -665.479229
where:
bonds (distance) C4'-P energy: -135.944
bonds (distance) P-C4' energy: -106.031
flat angles C4'-P-C4' energy: -153.964
flat angles P-C4'-P energy: -102.628
tors. eta vs tors. theta energy: -166.911
Dist. restrs. and SS energy: 3.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1935.777639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.777639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.951390 (E_RNA)
where:
Base-Base interactions energy: -1284.826
where: short stacking energy: -547.632
Base-Backbone interact. energy: -2.661
local terms energy: -650.464079
where:
bonds (distance) C4'-P energy: -148.325
bonds (distance) P-C4' energy: -136.363
flat angles C4'-P-C4' energy: -137.185
flat angles P-C4'-P energy: -86.316
tors. eta vs tors. theta energy: -142.275
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: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1804.268231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.268231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.307854 (E_RNA)
where:
Base-Base interactions energy: -1209.505
where: short stacking energy: -520.925
Base-Backbone interact. energy: 2.579
local terms energy: -605.381573
where:
bonds (distance) C4'-P energy: -119.858
bonds (distance) P-C4' energy: -126.937
flat angles C4'-P-C4' energy: -130.709
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -152.296
Dist. restrs. and SS energy: 8.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2889.826702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.826702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.865959 (E_RNA)
where:
Base-Base interactions energy: -2001.064
where: short stacking energy: -837.572
Base-Backbone interact. energy: -1.306
local terms energy: -889.496027
where:
bonds (distance) C4'-P energy: -157.561
bonds (distance) P-C4' energy: -170.045
flat angles C4'-P-C4' energy: -194.567
flat angles P-C4'-P energy: -122.823
tors. eta vs tors. theta energy: -244.500
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: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2805.399787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.399787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.574041 (E_RNA)
where:
Base-Base interactions energy: -1961.294
where: short stacking energy: -837.705
Base-Backbone interact. energy: -1.181
local terms energy: -844.099520
where:
bonds (distance) C4'-P energy: -157.170
bonds (distance) P-C4' energy: -152.301
flat angles C4'-P-C4' energy: -182.007
flat angles P-C4'-P energy: -119.692
tors. eta vs tors. theta energy: -232.930
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: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2664.140167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.140167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.674368 (E_RNA)
where:
Base-Base interactions energy: -1825.070
where: short stacking energy: -783.331
Base-Backbone interact. energy: 2.792
local terms energy: -844.396290
where:
bonds (distance) C4'-P energy: -156.155
bonds (distance) P-C4' energy: -161.541
flat angles C4'-P-C4' energy: -171.796
flat angles P-C4'-P energy: -126.334
tors. eta vs tors. theta energy: -228.571
Dist. restrs. and SS energy: 2.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2568.014411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.014411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.661322 (E_RNA)
where:
Base-Base interactions energy: -1789.244
where: short stacking energy: -737.531
Base-Backbone interact. energy: -0.282
local terms energy: -781.134655
where:
bonds (distance) C4'-P energy: -151.699
bonds (distance) P-C4' energy: -142.436
flat angles C4'-P-C4' energy: -164.248
flat angles P-C4'-P energy: -102.999
tors. eta vs tors. theta energy: -219.753
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2468.146796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.146796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.043825 (E_RNA)
where:
Base-Base interactions energy: -1696.795
where: short stacking energy: -692.870
Base-Backbone interact. energy: -4.816
local terms energy: -769.432592
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -143.418
flat angles C4'-P-C4' energy: -172.676
flat angles P-C4'-P energy: -109.722
tors. eta vs tors. theta energy: -196.326
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2192.576731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.576731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.688799 (E_RNA)
where:
Base-Base interactions energy: -1490.729
where: short stacking energy: -685.330
Base-Backbone interact. energy: 4.487
local terms energy: -708.446835
where:
bonds (distance) C4'-P energy: -104.290
bonds (distance) P-C4' energy: -149.881
flat angles C4'-P-C4' energy: -154.386
flat angles P-C4'-P energy: -107.688
tors. eta vs tors. theta energy: -192.202
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2215.091099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.091099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.750021 (E_RNA)
where:
Base-Base interactions energy: -1550.052
where: short stacking energy: -670.419
Base-Backbone interact. energy: 0.135
local terms energy: -667.833782
where:
bonds (distance) C4'-P energy: -118.464
bonds (distance) P-C4' energy: -116.732
flat angles C4'-P-C4' energy: -141.432
flat angles P-C4'-P energy: -97.454
tors. eta vs tors. theta energy: -193.752
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2033.020423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.020423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.274139 (E_RNA)
where:
Base-Base interactions energy: -1361.638
where: short stacking energy: -558.770
Base-Backbone interact. energy: 1.093
local terms energy: -675.729174
where:
bonds (distance) C4'-P energy: -137.912
bonds (distance) P-C4' energy: -132.647
flat angles C4'-P-C4' energy: -150.696
flat angles P-C4'-P energy: -112.225
tors. eta vs tors. theta energy: -142.249
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1954.834709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.834709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.927526 (E_RNA)
where:
Base-Base interactions energy: -1350.558
where: short stacking energy: -585.352
Base-Backbone interact. energy: -3.604
local terms energy: -604.765110
where:
bonds (distance) C4'-P energy: -95.142
bonds (distance) P-C4' energy: -145.901
flat angles C4'-P-C4' energy: -144.577
flat angles P-C4'-P energy: -77.066
tors. eta vs tors. theta energy: -142.079
Dist. restrs. and SS energy: 4.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1782.406787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.406787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.165089 (E_RNA)
where:
Base-Base interactions energy: -1200.432
where: short stacking energy: -468.174
Base-Backbone interact. energy: 5.074
local terms energy: -590.807111
where:
bonds (distance) C4'-P energy: -138.160
bonds (distance) P-C4' energy: -141.562
flat angles C4'-P-C4' energy: -135.291
flat angles P-C4'-P energy: -76.019
tors. eta vs tors. theta energy: -99.775
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: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2911.301159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.301159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.966954 (E_RNA)
where:
Base-Base interactions energy: -2021.832
where: short stacking energy: -818.133
Base-Backbone interact. energy: -3.291
local terms energy: -887.843968
where:
bonds (distance) C4'-P energy: -155.523
bonds (distance) P-C4' energy: -166.411
flat angles C4'-P-C4' energy: -200.039
flat angles P-C4'-P energy: -123.318
tors. eta vs tors. theta energy: -242.553
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2795.258641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.258641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.361756 (E_RNA)
where:
Base-Base interactions energy: -1966.071
where: short stacking energy: -827.594
Base-Backbone interact. energy: 4.644
local terms energy: -834.934471
where:
bonds (distance) C4'-P energy: -141.242
bonds (distance) P-C4' energy: -159.309
flat angles C4'-P-C4' energy: -177.914
flat angles P-C4'-P energy: -125.639
tors. eta vs tors. theta energy: -230.830
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: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2655.259359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.259359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.009960 (E_RNA)
where:
Base-Base interactions energy: -1859.878
where: short stacking energy: -769.864
Base-Backbone interact. energy: 0.948
local terms energy: -798.079809
where:
bonds (distance) C4'-P energy: -141.666
bonds (distance) P-C4' energy: -153.829
flat angles C4'-P-C4' energy: -165.008
flat angles P-C4'-P energy: -107.430
tors. eta vs tors. theta energy: -230.147
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: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2573.390427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.390427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.074532 (E_RNA)
where:
Base-Base interactions energy: -1804.044
where: short stacking energy: -771.986
Base-Backbone interact. energy: -1.864
local terms energy: -769.166877
where:
bonds (distance) C4'-P energy: -134.392
bonds (distance) P-C4' energy: -150.587
flat angles C4'-P-C4' energy: -160.153
flat angles P-C4'-P energy: -93.696
tors. eta vs tors. theta energy: -230.339
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: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2419.482447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.482447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.683490 (E_RNA)
where:
Base-Base interactions energy: -1675.745
where: short stacking energy: -711.300
Base-Backbone interact. energy: -2.112
local terms energy: -742.826713
where:
bonds (distance) C4'-P energy: -138.468
bonds (distance) P-C4' energy: -156.088
flat angles C4'-P-C4' energy: -152.239
flat angles P-C4'-P energy: -105.061
tors. eta vs tors. theta energy: -190.971
Dist. restrs. and SS energy: 1.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2175.473244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.473244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.438726 (E_RNA)
where:
Base-Base interactions energy: -1477.428
where: short stacking energy: -639.290
Base-Backbone interact. energy: -1.480
local terms energy: -698.530779
where:
bonds (distance) C4'-P energy: -128.052
bonds (distance) P-C4' energy: -139.852
flat angles C4'-P-C4' energy: -150.018
flat angles P-C4'-P energy: -107.947
tors. eta vs tors. theta energy: -172.662
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2259.231128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.231128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.513562 (E_RNA)
where:
Base-Base interactions energy: -1554.968
where: short stacking energy: -657.270
Base-Backbone interact. energy: 2.752
local terms energy: -711.297266
where:
bonds (distance) C4'-P energy: -130.059
bonds (distance) P-C4' energy: -142.240
flat angles C4'-P-C4' energy: -150.663
flat angles P-C4'-P energy: -104.685
tors. eta vs tors. theta energy: -183.650
Dist. restrs. and SS energy: 4.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2120.531872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.531872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.814441 (E_RNA)
where:
Base-Base interactions energy: -1422.647
where: short stacking energy: -608.326
Base-Backbone interact. energy: 0.930
local terms energy: -702.096873
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -142.337
flat angles C4'-P-C4' energy: -148.166
flat angles P-C4'-P energy: -97.737
tors. eta vs tors. theta energy: -193.336
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1988.009142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.009142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.596055 (E_RNA)
where:
Base-Base interactions energy: -1368.695
where: short stacking energy: -586.860
Base-Backbone interact. energy: -3.599
local terms energy: -618.301235
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -137.003
flat angles C4'-P-C4' energy: -137.925
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -140.281
Dist. restrs. and SS energy: 2.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1779.795133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.795133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.351309 (E_RNA)
where:
Base-Base interactions energy: -1208.559
where: short stacking energy: -524.776
Base-Backbone interact. energy: -2.841
local terms energy: -577.950499
where:
bonds (distance) C4'-P energy: -122.228
bonds (distance) P-C4' energy: -124.923
flat angles C4'-P-C4' energy: -133.564
flat angles P-C4'-P energy: -79.123
tors. eta vs tors. theta energy: -118.112
Dist. restrs. and SS energy: 9.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2921.960496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.960496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.884508 (E_RNA)
where:
Base-Base interactions energy: -2042.526
where: short stacking energy: -823.522
Base-Backbone interact. energy: -6.571
local terms energy: -874.787370
where:
bonds (distance) C4'-P energy: -172.964
bonds (distance) P-C4' energy: -158.789
flat angles C4'-P-C4' energy: -185.602
flat angles P-C4'-P energy: -116.366
tors. eta vs tors. theta energy: -241.066
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2794.757191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.757191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.837453 (E_RNA)
where:
Base-Base interactions energy: -1951.000
where: short stacking energy: -816.976
Base-Backbone interact. energy: 4.408
local terms energy: -850.245412
where:
bonds (distance) C4'-P energy: -151.708
bonds (distance) P-C4' energy: -158.660
flat angles C4'-P-C4' energy: -181.465
flat angles P-C4'-P energy: -123.441
tors. eta vs tors. theta energy: -234.972
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: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2653.762935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.762935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.475791 (E_RNA)
where:
Base-Base interactions energy: -1828.050
where: short stacking energy: -772.678
Base-Backbone interact. energy: -0.867
local terms energy: -826.558973
where:
bonds (distance) C4'-P energy: -164.826
bonds (distance) P-C4' energy: -161.177
flat angles C4'-P-C4' energy: -170.775
flat angles P-C4'-P energy: -115.988
tors. eta vs tors. theta energy: -213.793
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2589.883867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.883867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.640689 (E_RNA)
where:
Base-Base interactions energy: -1778.278
where: short stacking energy: -770.255
Base-Backbone interact. energy: -5.684
local terms energy: -807.678794
where:
bonds (distance) C4'-P energy: -141.947
bonds (distance) P-C4' energy: -133.784
flat angles C4'-P-C4' energy: -188.674
flat angles P-C4'-P energy: -113.023
tors. eta vs tors. theta energy: -230.249
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2433.976940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.976940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.382759 (E_RNA)
where:
Base-Base interactions energy: -1667.259
where: short stacking energy: -695.793
Base-Backbone interact. energy: -2.226
local terms energy: -765.898159
where:
bonds (distance) C4'-P energy: -157.764
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -172.613
flat angles P-C4'-P energy: -111.929
tors. eta vs tors. theta energy: -191.834
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2304.017042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.017042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.112900 (E_RNA)
where:
Base-Base interactions energy: -1553.090
where: short stacking energy: -644.753
Base-Backbone interact. energy: 6.044
local terms energy: -760.066270
where:
bonds (distance) C4'-P energy: -149.403
bonds (distance) P-C4' energy: -133.815
flat angles C4'-P-C4' energy: -180.392
flat angles P-C4'-P energy: -109.302
tors. eta vs tors. theta energy: -187.155
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: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2103.714070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.714070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.397799 (E_RNA)
where:
Base-Base interactions energy: -1420.086
where: short stacking energy: -606.943
Base-Backbone interact. energy: -0.623
local terms energy: -684.689148
where:
bonds (distance) C4'-P energy: -127.774
bonds (distance) P-C4' energy: -157.563
flat angles C4'-P-C4' energy: -150.934
flat angles P-C4'-P energy: -90.933
tors. eta vs tors. theta energy: -157.485
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: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2107.350649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.350649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.030446 (E_RNA)
where:
Base-Base interactions energy: -1441.893
where: short stacking energy: -611.294
Base-Backbone interact. energy: -1.202
local terms energy: -666.935467
where:
bonds (distance) C4'-P energy: -140.045
bonds (distance) P-C4' energy: -142.483
flat angles C4'-P-C4' energy: -143.258
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -145.911
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1967.101657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.101657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.165364 (E_RNA)
where:
Base-Base interactions energy: -1323.323
where: short stacking energy: -573.277
Base-Backbone interact. energy: 2.997
local terms energy: -650.838407
where:
bonds (distance) C4'-P energy: -122.749
bonds (distance) P-C4' energy: -137.049
flat angles C4'-P-C4' energy: -144.572
flat angles P-C4'-P energy: -99.596
tors. eta vs tors. theta energy: -146.872
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: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1815.353303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.353303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.543870 (E_RNA)
where:
Base-Base interactions energy: -1275.671
where: short stacking energy: -523.830
Base-Backbone interact. energy: 9.278
local terms energy: -551.150809
where:
bonds (distance) C4'-P energy: -120.875
bonds (distance) P-C4' energy: -114.903
flat angles C4'-P-C4' energy: -115.872
flat angles P-C4'-P energy: -75.715
tors. eta vs tors. theta energy: -123.785
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: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2901.178538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.178538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.222911 (E_RNA)
where:
Base-Base interactions energy: -2029.666
where: short stacking energy: -816.787
Base-Backbone interact. energy: -5.128
local terms energy: -868.428130
where:
bonds (distance) C4'-P energy: -169.479
bonds (distance) P-C4' energy: -158.188
flat angles C4'-P-C4' energy: -182.830
flat angles P-C4'-P energy: -120.659
tors. eta vs tors. theta energy: -237.272
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: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2805.831386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.831386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.861981 (E_RNA)
where:
Base-Base interactions energy: -1935.781
where: short stacking energy: -804.029
Base-Backbone interact. energy: 1.478
local terms energy: -872.558384
where:
bonds (distance) C4'-P energy: -150.721
bonds (distance) P-C4' energy: -166.117
flat angles C4'-P-C4' energy: -184.986
flat angles P-C4'-P energy: -129.865
tors. eta vs tors. theta energy: -240.869
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: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2654.850919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.850919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.998674 (E_RNA)
where:
Base-Base interactions energy: -1834.670
where: short stacking energy: -771.980
Base-Backbone interact. energy: -0.808
local terms energy: -820.519892
where:
bonds (distance) C4'-P energy: -140.856
bonds (distance) P-C4' energy: -148.524
flat angles C4'-P-C4' energy: -175.152
flat angles P-C4'-P energy: -121.212
tors. eta vs tors. theta energy: -234.776
Dist. restrs. and SS energy: 1.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2560.981141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.981141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.725043 (E_RNA)
where:
Base-Base interactions energy: -1769.977
where: short stacking energy: -737.318
Base-Backbone interact. energy: -1.770
local terms energy: -790.977686
where:
bonds (distance) C4'-P energy: -140.480
bonds (distance) P-C4' energy: -128.848
flat angles C4'-P-C4' energy: -184.348
flat angles P-C4'-P energy: -110.506
tors. eta vs tors. theta energy: -226.795
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: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2430.152054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.152054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.705971 (E_RNA)
where:
Base-Base interactions energy: -1701.704
where: short stacking energy: -712.327
Base-Backbone interact. energy: 13.267
local terms energy: -744.269382
where:
bonds (distance) C4'-P energy: -124.322
bonds (distance) P-C4' energy: -155.018
flat angles C4'-P-C4' energy: -175.354
flat angles P-C4'-P energy: -92.911
tors. eta vs tors. theta energy: -196.665
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: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2337.252136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.252136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.251968 (E_RNA)
where:
Base-Base interactions energy: -1584.381
where: short stacking energy: -685.632
Base-Backbone interact. energy: 0.633
local terms energy: -755.504454
where:
bonds (distance) C4'-P energy: -122.994
bonds (distance) P-C4' energy: -148.689
flat angles C4'-P-C4' energy: -164.560
flat angles P-C4'-P energy: -121.892
tors. eta vs tors. theta energy: -197.370
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: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2137.186370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.186370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.754403 (E_RNA)
where:
Base-Base interactions energy: -1445.122
where: short stacking energy: -625.472
Base-Backbone interact. energy: -1.028
local terms energy: -693.604024
where:
bonds (distance) C4'-P energy: -139.542
bonds (distance) P-C4' energy: -143.001
flat angles C4'-P-C4' energy: -163.233
flat angles P-C4'-P energy: -83.756
tors. eta vs tors. theta energy: -164.072
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: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2134.446951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.446951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.768726 (E_RNA)
where:
Base-Base interactions energy: -1488.450
where: short stacking energy: -632.492
Base-Backbone interact. energy: -2.659
local terms energy: -645.660293
where:
bonds (distance) C4'-P energy: -107.927
bonds (distance) P-C4' energy: -141.465
flat angles C4'-P-C4' energy: -142.676
flat angles P-C4'-P energy: -89.986
tors. eta vs tors. theta energy: -163.607
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: 388
Temperature: 1.300000
Total energy: -1994.277852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.277852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.752838 (E_RNA)
where:
Base-Base interactions energy: -1360.632
where: short stacking energy: -583.776
Base-Backbone interact. energy: -0.417
local terms energy: -635.704363
where:
bonds (distance) C4'-P energy: -121.577
bonds (distance) P-C4' energy: -130.291
flat angles C4'-P-C4' energy: -151.547
flat angles P-C4'-P energy: -72.953
tors. eta vs tors. theta energy: -159.336
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: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1818.758552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.758552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.017531 (E_RNA)
where:
Base-Base interactions energy: -1256.722
where: short stacking energy: -530.993
Base-Backbone interact. energy: -0.302
local terms energy: -565.993198
where:
bonds (distance) C4'-P energy: -115.631
bonds (distance) P-C4' energy: -133.983
flat angles C4'-P-C4' energy: -119.044
flat angles P-C4'-P energy: -72.903
tors. eta vs tors. theta energy: -124.432
Dist. restrs. and SS energy: 4.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2923.706726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.706726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.671458 (E_RNA)
where:
Base-Base interactions energy: -2037.341
where: short stacking energy: -837.084
Base-Backbone interact. energy: -1.044
local terms energy: -887.286442
where:
bonds (distance) C4'-P energy: -166.006
bonds (distance) P-C4' energy: -173.945
flat angles C4'-P-C4' energy: -175.789
flat angles P-C4'-P energy: -133.652
tors. eta vs tors. theta energy: -237.894
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2816.054574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.054574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.952557 (E_RNA)
where:
Base-Base interactions energy: -1965.071
where: short stacking energy: -824.371
Base-Backbone interact. energy: 3.704
local terms energy: -856.585126
where:
bonds (distance) C4'-P energy: -153.356
bonds (distance) P-C4' energy: -167.990
flat angles C4'-P-C4' energy: -178.207
flat angles P-C4'-P energy: -118.779
tors. eta vs tors. theta energy: -238.253
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: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2656.986138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.986138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.337534 (E_RNA)
where:
Base-Base interactions energy: -1787.712
where: short stacking energy: -766.089
Base-Backbone interact. energy: -0.381
local terms energy: -870.244733
where:
bonds (distance) C4'-P energy: -162.588
bonds (distance) P-C4' energy: -170.187
flat angles C4'-P-C4' energy: -189.221
flat angles P-C4'-P energy: -114.663
tors. eta vs tors. theta energy: -233.586
Dist. restrs. and SS energy: 1.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2632.190943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.190943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.526632 (E_RNA)
where:
Base-Base interactions energy: -1817.242
where: short stacking energy: -768.160
Base-Backbone interact. energy: -2.825
local terms energy: -814.459627
where:
bonds (distance) C4'-P energy: -144.586
bonds (distance) P-C4' energy: -144.457
flat angles C4'-P-C4' energy: -186.903
flat angles P-C4'-P energy: -105.368
tors. eta vs tors. theta energy: -233.146
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: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2470.945523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.945523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.354423 (E_RNA)
where:
Base-Base interactions energy: -1734.541
where: short stacking energy: -723.813
Base-Backbone interact. energy: -2.775
local terms energy: -735.038531
where:
bonds (distance) C4'-P energy: -139.235
bonds (distance) P-C4' energy: -128.975
flat angles C4'-P-C4' energy: -178.996
flat angles P-C4'-P energy: -92.226
tors. eta vs tors. theta energy: -195.606
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: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2333.095384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.095384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.620120 (E_RNA)
where:
Base-Base interactions energy: -1604.059
where: short stacking energy: -679.679
Base-Backbone interact. energy: -2.945
local terms energy: -728.616683
where:
bonds (distance) C4'-P energy: -143.753
bonds (distance) P-C4' energy: -125.869
flat angles C4'-P-C4' energy: -160.487
flat angles P-C4'-P energy: -102.431
tors. eta vs tors. theta energy: -196.077
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: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2154.680010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.680010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.473669 (E_RNA)
where:
Base-Base interactions energy: -1452.165
where: short stacking energy: -652.732
Base-Backbone interact. energy: 2.640
local terms energy: -706.948943
where:
bonds (distance) C4'-P energy: -136.733
bonds (distance) P-C4' energy: -137.570
flat angles C4'-P-C4' energy: -158.455
flat angles P-C4'-P energy: -94.216
tors. eta vs tors. theta energy: -179.976
Dist. restrs. and SS energy: 1.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2084.507785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.507785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.487255 (E_RNA)
where:
Base-Base interactions energy: -1410.366
where: short stacking energy: -596.747
Base-Backbone interact. energy: 2.395
local terms energy: -679.516832
where:
bonds (distance) C4'-P energy: -132.179
bonds (distance) P-C4' energy: -123.268
flat angles C4'-P-C4' energy: -161.735
flat angles P-C4'-P energy: -91.958
tors. eta vs tors. theta energy: -170.377
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: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1977.404696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.404696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.083100 (E_RNA)
where:
Base-Base interactions energy: -1322.850
where: short stacking energy: -563.193
Base-Backbone interact. energy: -2.503
local terms energy: -657.730309
where:
bonds (distance) C4'-P energy: -159.970
bonds (distance) P-C4' energy: -124.847
flat angles C4'-P-C4' energy: -130.274
flat angles P-C4'-P energy: -99.912
tors. eta vs tors. theta energy: -142.728
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: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1818.128769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.128769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.590651 (E_RNA)
where:
Base-Base interactions energy: -1255.719
where: short stacking energy: -490.045
Base-Backbone interact. energy: 14.589
local terms energy: -579.460443
where:
bonds (distance) C4'-P energy: -117.343
bonds (distance) P-C4' energy: -128.481
flat angles C4'-P-C4' energy: -135.864
flat angles P-C4'-P energy: -82.602
tors. eta vs tors. theta energy: -115.171
Dist. restrs. and SS energy: 2.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2861.214535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.214535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.862356 (E_RNA)
where:
Base-Base interactions energy: -1966.556
where: short stacking energy: -846.639
Base-Backbone interact. energy: -4.992
local terms energy: -891.315039
where:
bonds (distance) C4'-P energy: -158.390
bonds (distance) P-C4' energy: -165.331
flat angles C4'-P-C4' energy: -191.894
flat angles P-C4'-P energy: -124.029
tors. eta vs tors. theta energy: -251.671
Dist. restrs. and SS energy: 1.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2834.666383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.666383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.872874 (E_RNA)
where:
Base-Base interactions energy: -1985.449
where: short stacking energy: -808.014
Base-Backbone interact. energy: 0.124
local terms energy: -850.547741
where:
bonds (distance) C4'-P energy: -152.876
bonds (distance) P-C4' energy: -153.010
flat angles C4'-P-C4' energy: -177.614
flat angles P-C4'-P energy: -111.874
tors. eta vs tors. theta energy: -255.173
Dist. restrs. and SS energy: 1.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2657.168133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.168133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.246646 (E_RNA)
where:
Base-Base interactions energy: -1825.957
where: short stacking energy: -757.768
Base-Backbone interact. energy: -4.280
local terms energy: -829.009224
where:
bonds (distance) C4'-P energy: -157.296
bonds (distance) P-C4' energy: -141.460
flat angles C4'-P-C4' energy: -185.298
flat angles P-C4'-P energy: -108.936
tors. eta vs tors. theta energy: -236.020
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: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2589.257777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.257777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.265935 (E_RNA)
where:
Base-Base interactions energy: -1794.082
where: short stacking energy: -759.035
Base-Backbone interact. energy: -5.169
local terms energy: -792.015344
where:
bonds (distance) C4'-P energy: -137.722
bonds (distance) P-C4' energy: -145.817
flat angles C4'-P-C4' energy: -175.514
flat angles P-C4'-P energy: -103.528
tors. eta vs tors. theta energy: -229.435
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2381.472417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.472417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.608129 (E_RNA)
where:
Base-Base interactions energy: -1600.208
where: short stacking energy: -679.108
Base-Backbone interact. energy: -2.219
local terms energy: -781.180519
where:
bonds (distance) C4'-P energy: -170.238
bonds (distance) P-C4' energy: -138.281
flat angles C4'-P-C4' energy: -161.315
flat angles P-C4'-P energy: -106.340
tors. eta vs tors. theta energy: -205.007
Dist. restrs. and SS energy: 2.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2306.020608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.020608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.785226 (E_RNA)
where:
Base-Base interactions energy: -1570.430
where: short stacking energy: -681.435
Base-Backbone interact. energy: -0.200
local terms energy: -737.154441
where:
bonds (distance) C4'-P energy: -143.857
bonds (distance) P-C4' energy: -119.688
flat angles C4'-P-C4' energy: -173.438
flat angles P-C4'-P energy: -106.908
tors. eta vs tors. theta energy: -193.263
Dist. restrs. and SS energy: 1.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2163.631909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.631909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.062753 (E_RNA)
where:
Base-Base interactions energy: -1437.876
where: short stacking energy: -589.368
Base-Backbone interact. energy: -1.863
local terms energy: -725.323822
where:
bonds (distance) C4'-P energy: -150.486
bonds (distance) P-C4' energy: -147.907
flat angles C4'-P-C4' energy: -140.593
flat angles P-C4'-P energy: -110.728
tors. eta vs tors. theta energy: -175.610
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2035.948849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.948849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.385538 (E_RNA)
where:
Base-Base interactions energy: -1397.084
where: short stacking energy: -590.533
Base-Backbone interact. energy: -2.613
local terms energy: -637.688726
where:
bonds (distance) C4'-P energy: -111.327
bonds (distance) P-C4' energy: -143.285
flat angles C4'-P-C4' energy: -155.067
flat angles P-C4'-P energy: -71.605
tors. eta vs tors. theta energy: -156.405
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: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1975.860172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.860172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.864909 (E_RNA)
where:
Base-Base interactions energy: -1370.041
where: short stacking energy: -571.268
Base-Backbone interact. energy: 4.229
local terms energy: -613.053336
where:
bonds (distance) C4'-P energy: -115.708
bonds (distance) P-C4' energy: -129.960
flat angles C4'-P-C4' energy: -139.914
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: -159.359
Dist. restrs. and SS energy: 3.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1817.359510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.359510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.894984 (E_RNA)
where:
Base-Base interactions energy: -1222.293
where: short stacking energy: -532.257
Base-Backbone interact. energy: -2.360
local terms energy: -600.242412
where:
bonds (distance) C4'-P energy: -117.693
bonds (distance) P-C4' energy: -132.808
flat angles C4'-P-C4' energy: -151.279
flat angles P-C4'-P energy: -80.869
tors. eta vs tors. theta energy: -117.593
Dist. restrs. and SS energy: 7.535 (S_DIST_RNA)
chem. 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: -2880.444320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.444320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.096249 (E_RNA)
where:
Base-Base interactions energy: -1999.190
where: short stacking energy: -848.638
Base-Backbone interact. energy: -3.643
local terms energy: -879.262566
where:
bonds (distance) C4'-P energy: -152.359
bonds (distance) P-C4' energy: -159.412
flat angles C4'-P-C4' energy: -193.841
flat angles P-C4'-P energy: -123.546
tors. eta vs tors. theta energy: -250.105
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: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2840.027854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.027854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.339853 (E_RNA)
where:
Base-Base interactions energy: -1979.682
where: short stacking energy: -807.535
Base-Backbone interact. energy: -0.847
local terms energy: -860.810557
where:
bonds (distance) C4'-P energy: -157.687
bonds (distance) P-C4' energy: -163.961
flat angles C4'-P-C4' energy: -186.506
flat angles P-C4'-P energy: -114.038
tors. eta vs tors. theta energy: -238.620
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2630.745810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.745810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.621543 (E_RNA)
where:
Base-Base interactions energy: -1793.516
where: short stacking energy: -770.327
Base-Backbone interact. energy: 5.612
local terms energy: -844.717933
where:
bonds (distance) C4'-P energy: -166.850
bonds (distance) P-C4' energy: -166.743
flat angles C4'-P-C4' energy: -165.638
flat angles P-C4'-P energy: -106.786
tors. eta vs tors. theta energy: -238.701
Dist. restrs. and SS energy: 1.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2559.850228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.850228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.582040 (E_RNA)
where:
Base-Base interactions energy: -1789.014
where: short stacking energy: -718.115
Base-Backbone interact. energy: -1.228
local terms energy: -771.339987
where:
bonds (distance) C4'-P energy: -132.721
bonds (distance) P-C4' energy: -140.413
flat angles C4'-P-C4' energy: -164.390
flat angles P-C4'-P energy: -119.320
tors. eta vs tors. theta energy: -214.496
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: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2396.685168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.685168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.534289 (E_RNA)
where:
Base-Base interactions energy: -1618.378
where: short stacking energy: -683.808
Base-Backbone interact. energy: 0.530
local terms energy: -781.686268
where:
bonds (distance) C4'-P energy: -141.854
bonds (distance) P-C4' energy: -146.020
flat angles C4'-P-C4' energy: -179.024
flat angles P-C4'-P energy: -106.377
tors. eta vs tors. theta energy: -208.412
Dist. restrs. and SS energy: 2.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2251.700721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.700721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.054372 (E_RNA)
where:
Base-Base interactions energy: -1496.307
where: short stacking energy: -670.726
Base-Backbone interact. energy: -1.079
local terms energy: -756.668208
where:
bonds (distance) C4'-P energy: -137.505
bonds (distance) P-C4' energy: -135.639
flat angles C4'-P-C4' energy: -173.980
flat angles P-C4'-P energy: -117.092
tors. eta vs tors. theta energy: -192.452
Dist. restrs. and SS energy: 2.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2131.840602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.840602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.105408 (E_RNA)
where:
Base-Base interactions energy: -1447.050
where: short stacking energy: -607.182
Base-Backbone interact. energy: -3.617
local terms energy: -683.438592
where:
bonds (distance) C4'-P energy: -130.133
bonds (distance) P-C4' energy: -138.986
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -92.603
tors. eta vs tors. theta energy: -168.533
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: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -2039.981661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.981661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.080445 (E_RNA)
where:
Base-Base interactions energy: -1380.604
where: short stacking energy: -636.365
Base-Backbone interact. energy: -0.447
local terms energy: -663.030067
where:
bonds (distance) C4'-P energy: -135.828
bonds (distance) P-C4' energy: -149.506
flat angles C4'-P-C4' energy: -147.221
flat angles P-C4'-P energy: -80.270
tors. eta vs tors. theta energy: -150.205
Dist. restrs. and SS energy: 4.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -2010.723287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.723287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.046953 (E_RNA)
where:
Base-Base interactions energy: -1372.052
where: short stacking energy: -602.899
Base-Backbone interact. energy: 3.970
local terms energy: -646.964972
where:
bonds (distance) C4'-P energy: -118.970
bonds (distance) P-C4' energy: -137.634
flat angles C4'-P-C4' energy: -142.405
flat angles P-C4'-P energy: -78.686
tors. eta vs tors. theta energy: -169.271
Dist. restrs. and SS energy: 4.324 (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: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1802.555936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.555936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.553095 (E_RNA)
where:
Base-Base interactions energy: -1206.899
where: short stacking energy: -489.080
Base-Backbone interact. energy: 0.239
local terms energy: -599.893518
where:
bonds (distance) C4'-P energy: -138.773
bonds (distance) P-C4' energy: -134.135
flat angles C4'-P-C4' energy: -120.396
flat angles P-C4'-P energy: -68.441
tors. eta vs tors. theta energy: -138.148
Dist. restrs. and SS energy: 3.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2885.887287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.887287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.493613 (E_RNA)
where:
Base-Base interactions energy: -1964.009
where: short stacking energy: -829.009
Base-Backbone interact. energy: -5.127
local terms energy: -918.357347
where:
bonds (distance) C4'-P energy: -176.431
bonds (distance) P-C4' energy: -172.558
flat angles C4'-P-C4' energy: -191.630
flat angles P-C4'-P energy: -128.437
tors. eta vs tors. theta energy: -249.301
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2847.285779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.285779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.306220 (E_RNA)
where:
Base-Base interactions energy: -2023.295
where: short stacking energy: -820.590
Base-Backbone interact. energy: -5.265
local terms energy: -819.746525
where:
bonds (distance) C4'-P energy: -138.200
bonds (distance) P-C4' energy: -146.002
flat angles C4'-P-C4' energy: -184.937
flat angles P-C4'-P energy: -115.431
tors. eta vs tors. theta energy: -235.176
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: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2647.219304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.219304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.831584 (E_RNA)
where:
Base-Base interactions energy: -1826.143
where: short stacking energy: -733.678
Base-Backbone interact. energy: 0.974
local terms energy: -823.662443
where:
bonds (distance) C4'-P energy: -154.457
bonds (distance) P-C4' energy: -164.668
flat angles C4'-P-C4' energy: -173.307
flat angles P-C4'-P energy: -111.801
tors. eta vs tors. theta energy: -219.429
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: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2595.035284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.035284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.652256 (E_RNA)
where:
Base-Base interactions energy: -1777.133
where: short stacking energy: -740.532
Base-Backbone interact. energy: -1.361
local terms energy: -819.157760
where:
bonds (distance) C4'-P energy: -158.191
bonds (distance) P-C4' energy: -152.346
flat angles C4'-P-C4' energy: -153.851
flat angles P-C4'-P energy: -124.396
tors. eta vs tors. theta energy: -230.374
Dist. restrs. and SS energy: 2.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2414.348135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.348135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.372374 (E_RNA)
where:
Base-Base interactions energy: -1673.531
where: short stacking energy: -689.341
Base-Backbone interact. energy: 3.204
local terms energy: -747.045594
where:
bonds (distance) C4'-P energy: -149.746
bonds (distance) P-C4' energy: -134.381
flat angles C4'-P-C4' energy: -160.349
flat angles P-C4'-P energy: -115.939
tors. eta vs tors. theta energy: -186.630
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2286.122838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.122838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.555661 (E_RNA)
where:
Base-Base interactions energy: -1569.618
where: short stacking energy: -639.937
Base-Backbone interact. energy: -0.036
local terms energy: -719.901804
where:
bonds (distance) C4'-P energy: -144.159
bonds (distance) P-C4' energy: -149.381
flat angles C4'-P-C4' energy: -154.295
flat angles P-C4'-P energy: -105.420
tors. eta vs tors. theta energy: -166.646
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: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2197.768480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.768480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.427827 (E_RNA)
where:
Base-Base interactions energy: -1495.415
where: short stacking energy: -634.227
Base-Backbone interact. energy: 6.656
local terms energy: -711.668573
where:
bonds (distance) C4'-P energy: -117.870
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -159.494
flat angles P-C4'-P energy: -110.556
tors. eta vs tors. theta energy: -185.502
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2036.493895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.493895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.750249 (E_RNA)
where:
Base-Base interactions energy: -1407.577
where: short stacking energy: -591.079
Base-Backbone interact. energy: -1.239
local terms energy: -630.934460
where:
bonds (distance) C4'-P energy: -127.915
bonds (distance) P-C4' energy: -125.521
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -87.164
tors. eta vs tors. theta energy: -148.133
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1809.166725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.166725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.857553 (E_RNA)
where:
Base-Base interactions energy: -1244.888
where: short stacking energy: -515.022
Base-Backbone interact. energy: 2.708
local terms energy: -572.676977
where:
bonds (distance) C4'-P energy: -133.721
bonds (distance) P-C4' energy: -136.819
flat angles C4'-P-C4' energy: -116.842
flat angles P-C4'-P energy: -66.744
tors. eta vs tors. theta energy: -118.550
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: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1895.648894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.648894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.813930 (E_RNA)
where:
Base-Base interactions energy: -1335.665
where: short stacking energy: -543.310
Base-Backbone interact. energy: 2.542
local terms energy: -566.690609
where:
bonds (distance) C4'-P energy: -113.013
bonds (distance) P-C4' energy: -108.466
flat angles C4'-P-C4' energy: -128.509
flat angles P-C4'-P energy: -67.988
tors. eta vs tors. theta energy: -148.715
Dist. restrs. and SS energy: 4.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2896.936312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.936312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.582458 (E_RNA)
where:
Base-Base interactions energy: -2006.568
where: short stacking energy: -852.293
Base-Backbone interact. energy: -0.686
local terms energy: -891.327867
where:
bonds (distance) C4'-P energy: -179.679
bonds (distance) P-C4' energy: -159.240
flat angles C4'-P-C4' energy: -187.029
flat angles P-C4'-P energy: -129.673
tors. eta vs tors. theta energy: -235.708
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2823.738370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.738370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.210631 (E_RNA)
where:
Base-Base interactions energy: -1985.649
where: short stacking energy: -827.783
Base-Backbone interact. energy: -2.278
local terms energy: -838.283130
where:
bonds (distance) C4'-P energy: -153.162
bonds (distance) P-C4' energy: -160.409
flat angles C4'-P-C4' energy: -173.470
flat angles P-C4'-P energy: -111.576
tors. eta vs tors. theta energy: -239.666
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2662.785191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.785191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.725429 (E_RNA)
where:
Base-Base interactions energy: -1830.515
where: short stacking energy: -792.317
Base-Backbone interact. energy: -3.593
local terms energy: -830.617043
where:
bonds (distance) C4'-P energy: -152.483
bonds (distance) P-C4' energy: -151.992
flat angles C4'-P-C4' energy: -191.235
flat angles P-C4'-P energy: -110.579
tors. eta vs tors. theta energy: -224.328
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: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2580.834669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.834669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.554435 (E_RNA)
where:
Base-Base interactions energy: -1773.121
where: short stacking energy: -744.878
Base-Backbone interact. energy: -3.281
local terms energy: -805.152188
where:
bonds (distance) C4'-P energy: -150.329
bonds (distance) P-C4' energy: -137.089
flat angles C4'-P-C4' energy: -178.695
flat angles P-C4'-P energy: -111.648
tors. eta vs tors. theta energy: -227.392
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: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2384.356253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.356253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.997032 (E_RNA)
where:
Base-Base interactions energy: -1637.076
where: short stacking energy: -678.837
Base-Backbone interact. energy: 3.455
local terms energy: -754.376152
where:
bonds (distance) C4'-P energy: -150.851
bonds (distance) P-C4' energy: -142.329
flat angles C4'-P-C4' energy: -160.837
flat angles P-C4'-P energy: -109.447
tors. eta vs tors. theta energy: -190.914
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2276.066737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.066737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.846651 (E_RNA)
where:
Base-Base interactions energy: -1544.466
where: short stacking energy: -649.248
Base-Backbone interact. energy: 3.705
local terms energy: -737.086351
where:
bonds (distance) C4'-P energy: -135.962
bonds (distance) P-C4' energy: -134.135
flat angles C4'-P-C4' energy: -166.999
flat angles P-C4'-P energy: -111.694
tors. eta vs tors. theta energy: -188.297
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2160.914228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.914228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.508744 (E_RNA)
where:
Base-Base interactions energy: -1482.111
where: short stacking energy: -646.615
Base-Backbone interact. energy: 4.606
local terms energy: -686.003372
where:
bonds (distance) C4'-P energy: -151.942
bonds (distance) P-C4' energy: -126.588
flat angles C4'-P-C4' energy: -157.812
flat angles P-C4'-P energy: -83.985
tors. eta vs tors. theta energy: -165.677
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: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -2038.279930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.279930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.449948 (E_RNA)
where:
Base-Base interactions energy: -1359.040
where: short stacking energy: -575.308
Base-Backbone interact. energy: -3.204
local terms energy: -679.206198
where:
bonds (distance) C4'-P energy: -137.725
bonds (distance) P-C4' energy: -139.977
flat angles C4'-P-C4' energy: -144.967
flat angles P-C4'-P energy: -93.367
tors. eta vs tors. theta energy: -163.170
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1856.347357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.347357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.271585 (E_RNA)
where:
Base-Base interactions energy: -1274.164
where: short stacking energy: -534.590
Base-Backbone interact. energy: -0.607
local terms energy: -593.500574
where:
bonds (distance) C4'-P energy: -126.281
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -146.049
flat angles P-C4'-P energy: -87.613
tors. eta vs tors. theta energy: -123.823
Dist. restrs. and SS energy: 11.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1875.704409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.704409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.112247 (E_RNA)
where:
Base-Base interactions energy: -1280.166
where: short stacking energy: -535.912
Base-Backbone interact. energy: -1.649
local terms energy: -596.296419
where:
bonds (distance) C4'-P energy: -114.808
bonds (distance) P-C4' energy: -111.757
flat angles C4'-P-C4' energy: -153.264
flat angles P-C4'-P energy: -82.706
tors. eta vs tors. theta energy: -133.762
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: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2875.427577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.427577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.551184 (E_RNA)
where:
Base-Base interactions energy: -2003.545
where: short stacking energy: -830.448
Base-Backbone interact. energy: -4.469
local terms energy: -868.537207
where:
bonds (distance) C4'-P energy: -161.612
bonds (distance) P-C4' energy: -172.557
flat angles C4'-P-C4' energy: -174.315
flat angles P-C4'-P energy: -114.605
tors. eta vs tors. theta energy: -245.449
Dist. restrs. and SS energy: 1.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2816.782619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.782619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.314727 (E_RNA)
where:
Base-Base interactions energy: -1996.322
where: short stacking energy: -807.819
Base-Backbone interact. energy: -6.164
local terms energy: -816.828814
where:
bonds (distance) C4'-P energy: -128.853
bonds (distance) P-C4' energy: -160.333
flat angles C4'-P-C4' energy: -182.011
flat angles P-C4'-P energy: -122.983
tors. eta vs tors. theta energy: -222.649
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2621.417556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.417556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.470634 (E_RNA)
where:
Base-Base interactions energy: -1767.809
where: short stacking energy: -756.437
Base-Backbone interact. energy: 4.071
local terms energy: -858.732513
where:
bonds (distance) C4'-P energy: -168.791
bonds (distance) P-C4' energy: -159.492
flat angles C4'-P-C4' energy: -176.728
flat angles P-C4'-P energy: -131.237
tors. eta vs tors. theta energy: -222.484
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: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2573.089701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.089701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.464159 (E_RNA)
where:
Base-Base interactions energy: -1763.985
where: short stacking energy: -755.068
Base-Backbone interact. energy: 0.769
local terms energy: -811.248064
where:
bonds (distance) C4'-P energy: -146.532
bonds (distance) P-C4' energy: -135.763
flat angles C4'-P-C4' energy: -191.914
flat angles P-C4'-P energy: -113.202
tors. eta vs tors. theta energy: -223.836
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: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2340.120364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.120364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.217951 (E_RNA)
where:
Base-Base interactions energy: -1610.230
where: short stacking energy: -699.198
Base-Backbone interact. energy: 1.725
local terms energy: -734.713265
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -147.114
flat angles C4'-P-C4' energy: -163.255
flat angles P-C4'-P energy: -101.999
tors. eta vs tors. theta energy: -188.698
Dist. restrs. and SS energy: 3.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2263.706920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.706920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.458988 (E_RNA)
where:
Base-Base interactions energy: -1528.886
where: short stacking energy: -646.658
Base-Backbone interact. energy: -1.515
local terms energy: -735.058482
where:
bonds (distance) C4'-P energy: -136.215
bonds (distance) P-C4' energy: -150.778
flat angles C4'-P-C4' energy: -157.927
flat angles P-C4'-P energy: -90.952
tors. eta vs tors. theta energy: -199.186
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2151.760476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.760476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.910414 (E_RNA)
where:
Base-Base interactions energy: -1438.840
where: short stacking energy: -596.375
Base-Backbone interact. energy: -1.243
local terms energy: -713.827219
where:
bonds (distance) C4'-P energy: -135.013
bonds (distance) P-C4' energy: -144.338
flat angles C4'-P-C4' energy: -159.033
flat angles P-C4'-P energy: -87.529
tors. eta vs tors. theta energy: -187.914
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2034.634901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.634901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.026239 (E_RNA)
where:
Base-Base interactions energy: -1363.971
where: short stacking energy: -573.073
Base-Backbone interact. energy: -1.090
local terms energy: -671.965007
where:
bonds (distance) C4'-P energy: -120.442
bonds (distance) P-C4' energy: -139.352
flat angles C4'-P-C4' energy: -149.973
flat angles P-C4'-P energy: -100.066
tors. eta vs tors. theta energy: -162.132
Dist. restrs. and SS energy: 2.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1944.071593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.071593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.171357 (E_RNA)
where:
Base-Base interactions energy: -1328.687
where: short stacking energy: -550.621
Base-Backbone interact. energy: 6.215
local terms energy: -624.699500
where:
bonds (distance) C4'-P energy: -132.080
bonds (distance) P-C4' energy: -127.014
flat angles C4'-P-C4' energy: -117.169
flat angles P-C4'-P energy: -99.597
tors. eta vs tors. theta energy: -148.840
Dist. restrs. and SS energy: 3.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1742.781829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.781829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.129358 (E_RNA)
where:
Base-Base interactions energy: -1192.590
where: short stacking energy: -489.938
Base-Backbone interact. energy: -3.706
local terms energy: -560.832967
where:
bonds (distance) C4'-P energy: -127.200
bonds (distance) P-C4' energy: -122.739
flat angles C4'-P-C4' energy: -117.523
flat angles P-C4'-P energy: -75.937
tors. eta vs tors. theta energy: -117.434
Dist. restrs. and SS energy: 14.348 (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: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2860.819709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.819709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.723442 (E_RNA)
where:
Base-Base interactions energy: -1983.765
where: short stacking energy: -829.647
Base-Backbone interact. energy: 0.600
local terms energy: -878.557728
where:
bonds (distance) C4'-P energy: -158.788
bonds (distance) P-C4' energy: -166.509
flat angles C4'-P-C4' energy: -178.613
flat angles P-C4'-P energy: -128.300
tors. eta vs tors. theta energy: -246.348
Dist. restrs. and SS energy: 0.904 (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: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2839.638119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.638119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.053037 (E_RNA)
where:
Base-Base interactions energy: -1981.502
where: short stacking energy: -820.506
Base-Backbone interact. energy: -3.127
local terms energy: -856.424464
where:
bonds (distance) C4'-P energy: -154.673
bonds (distance) P-C4' energy: -155.775
flat angles C4'-P-C4' energy: -174.897
flat angles P-C4'-P energy: -122.891
tors. eta vs tors. theta energy: -248.189
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2649.506436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.506436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.361717 (E_RNA)
where:
Base-Base interactions energy: -1844.944
where: short stacking energy: -768.109
Base-Backbone interact. energy: -2.078
local terms energy: -803.339538
where:
bonds (distance) C4'-P energy: -146.943
bonds (distance) P-C4' energy: -137.198
flat angles C4'-P-C4' energy: -181.355
flat angles P-C4'-P energy: -107.856
tors. eta vs tors. theta energy: -229.988
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2571.632348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.632348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.071409 (E_RNA)
where:
Base-Base interactions energy: -1801.137
where: short stacking energy: -760.828
Base-Backbone interact. energy: 5.024
local terms energy: -777.958491
where:
bonds (distance) C4'-P energy: -155.518
bonds (distance) P-C4' energy: -126.865
flat angles C4'-P-C4' energy: -155.098
flat angles P-C4'-P energy: -116.107
tors. eta vs tors. theta energy: -224.371
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: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2442.241840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.241840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.735426 (E_RNA)
where:
Base-Base interactions energy: -1703.405
where: short stacking energy: -695.969
Base-Backbone interact. energy: 1.156
local terms energy: -742.486784
where:
bonds (distance) C4'-P energy: -141.847
bonds (distance) P-C4' energy: -148.480
flat angles C4'-P-C4' energy: -147.665
flat angles P-C4'-P energy: -114.239
tors. eta vs tors. theta energy: -190.256
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: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2247.271254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.271254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.788263 (E_RNA)
where:
Base-Base interactions energy: -1512.841
where: short stacking energy: -673.997
Base-Backbone interact. energy: 2.763
local terms energy: -738.710660
where:
bonds (distance) C4'-P energy: -155.642
bonds (distance) P-C4' energy: -134.286
flat angles C4'-P-C4' energy: -168.089
flat angles P-C4'-P energy: -87.152
tors. eta vs tors. theta energy: -193.542
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2179.409255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.409255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.395621 (E_RNA)
where:
Base-Base interactions energy: -1489.212
where: short stacking energy: -614.050
Base-Backbone interact. energy: -0.376
local terms energy: -692.808404
where:
bonds (distance) C4'-P energy: -122.598
bonds (distance) P-C4' energy: -145.680
flat angles C4'-P-C4' energy: -151.147
flat angles P-C4'-P energy: -85.212
tors. eta vs tors. theta energy: -188.171
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: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2041.630430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.630430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.959810 (E_RNA)
where:
Base-Base interactions energy: -1363.041
where: short stacking energy: -574.637
Base-Backbone interact. energy: -0.534
local terms energy: -680.385424
where:
bonds (distance) C4'-P energy: -134.791
bonds (distance) P-C4' energy: -147.665
flat angles C4'-P-C4' energy: -155.323
flat angles P-C4'-P energy: -93.926
tors. eta vs tors. theta energy: -148.680
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: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1941.475414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.475414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.573185 (E_RNA)
where:
Base-Base interactions energy: -1336.094
where: short stacking energy: -570.389
Base-Backbone interact. energy: 0.672
local terms energy: -608.151194
where:
bonds (distance) C4'-P energy: -128.685
bonds (distance) P-C4' energy: -117.097
flat angles C4'-P-C4' energy: -151.990
flat angles P-C4'-P energy: -65.355
tors. eta vs tors. theta energy: -145.025
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1727.716424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.716424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.029119 (E_RNA)
where:
Base-Base interactions energy: -1170.410
where: short stacking energy: -475.552
Base-Backbone interact. energy: -5.717
local terms energy: -563.901758
where:
bonds (distance) C4'-P energy: -125.438
bonds (distance) P-C4' energy: -125.851
flat angles C4'-P-C4' energy: -131.736
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -112.167
Dist. restrs. and SS energy: 12.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2866.552333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.552333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.242812 (E_RNA)
where:
Base-Base interactions energy: -2017.725
where: short stacking energy: -825.987
Base-Backbone interact. energy: 0.277
local terms energy: -850.795001
where:
bonds (distance) C4'-P energy: -145.004
bonds (distance) P-C4' energy: -163.974
flat angles C4'-P-C4' energy: -181.608
flat angles P-C4'-P energy: -119.955
tors. eta vs tors. theta energy: -240.254
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2872.678402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.678402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.128524 (E_RNA)
where:
Base-Base interactions energy: -2016.314
where: short stacking energy: -834.535
Base-Backbone interact. energy: -1.100
local terms energy: -857.714465
where:
bonds (distance) C4'-P energy: -163.355
bonds (distance) P-C4' energy: -148.345
flat angles C4'-P-C4' energy: -182.959
flat angles P-C4'-P energy: -113.975
tors. eta vs tors. theta energy: -249.080
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: 396
Temperature: 1.000000
Total energy: -2675.459981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.459981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.396953 (E_RNA)
where:
Base-Base interactions energy: -1863.172
where: short stacking energy: -782.702
Base-Backbone interact. energy: 4.317
local terms energy: -817.541528
where:
bonds (distance) C4'-P energy: -134.109
bonds (distance) P-C4' energy: -149.101
flat angles C4'-P-C4' energy: -181.585
flat angles P-C4'-P energy: -127.984
tors. eta vs tors. theta energy: -224.763
Dist. restrs. and SS energy: 0.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2613.403314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.403314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.775288 (E_RNA)
where:
Base-Base interactions energy: -1819.658
where: short stacking energy: -739.364
Base-Backbone interact. energy: 3.039
local terms energy: -798.156400
where:
bonds (distance) C4'-P energy: -157.173
bonds (distance) P-C4' energy: -144.069
flat angles C4'-P-C4' energy: -157.300
flat angles P-C4'-P energy: -119.229
tors. eta vs tors. theta energy: -220.386
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2383.508488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.508488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.574120 (E_RNA)
where:
Base-Base interactions energy: -1661.196
where: short stacking energy: -702.073
Base-Backbone interact. energy: -2.098
local terms energy: -721.280101
where:
bonds (distance) C4'-P energy: -134.449
bonds (distance) P-C4' energy: -147.557
flat angles C4'-P-C4' energy: -161.079
flat angles P-C4'-P energy: -86.074
tors. eta vs tors. theta energy: -192.121
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: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2220.719351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.719351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.227321 (E_RNA)
where:
Base-Base interactions energy: -1499.845
where: short stacking energy: -666.297
Base-Backbone interact. energy: -0.784
local terms energy: -723.598499
where:
bonds (distance) C4'-P energy: -144.447
bonds (distance) P-C4' energy: -155.352
flat angles C4'-P-C4' energy: -152.378
flat angles P-C4'-P energy: -84.913
tors. eta vs tors. theta energy: -186.509
Dist. restrs. and SS energy: 3.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2159.172822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.172822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.196507 (E_RNA)
where:
Base-Base interactions energy: -1487.554
where: short stacking energy: -628.353
Base-Backbone interact. energy: 5.416
local terms energy: -679.058285
where:
bonds (distance) C4'-P energy: -132.772
bonds (distance) P-C4' energy: -134.202
flat angles C4'-P-C4' energy: -149.697
flat angles P-C4'-P energy: -93.541
tors. eta vs tors. theta energy: -168.846
Dist. restrs. and SS energy: 2.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2064.052393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.052393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.348679 (E_RNA)
where:
Base-Base interactions energy: -1394.386
where: short stacking energy: -582.387
Base-Backbone interact. energy: -3.626
local terms energy: -668.336315
where:
bonds (distance) C4'-P energy: -129.202
bonds (distance) P-C4' energy: -142.830
flat angles C4'-P-C4' energy: -155.068
flat angles P-C4'-P energy: -85.101
tors. eta vs tors. theta energy: -156.136
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1924.767972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.767972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.277117 (E_RNA)
where:
Base-Base interactions energy: -1329.542
where: short stacking energy: -546.255
Base-Backbone interact. energy: -2.986
local terms energy: -595.749017
where:
bonds (distance) C4'-P energy: -124.279
bonds (distance) P-C4' energy: -125.029
flat angles C4'-P-C4' energy: -138.510
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -141.165
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: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1744.786927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.786927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.359318 (E_RNA)
where:
Base-Base interactions energy: -1202.094
where: short stacking energy: -525.097
Base-Backbone interact. energy: -3.717
local terms energy: -552.548646
where:
bonds (distance) C4'-P energy: -126.102
bonds (distance) P-C4' energy: -109.113
flat angles C4'-P-C4' energy: -135.293
flat angles P-C4'-P energy: -64.608
tors. eta vs tors. theta energy: -117.433
Dist. restrs. and SS energy: 13.572 (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: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2922.053989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.053989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.711241 (E_RNA)
where:
Base-Base interactions energy: -2069.982
where: short stacking energy: -852.140
Base-Backbone interact. energy: -2.100
local terms energy: -851.629957
where:
bonds (distance) C4'-P energy: -150.690
bonds (distance) P-C4' energy: -154.202
flat angles C4'-P-C4' energy: -188.099
flat angles P-C4'-P energy: -116.031
tors. eta vs tors. theta energy: -242.607
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2863.225557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.225557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.742110 (E_RNA)
where:
Base-Base interactions energy: -1999.838
where: short stacking energy: -836.376
Base-Backbone interact. energy: -3.592
local terms energy: -861.312209
where:
bonds (distance) C4'-P energy: -162.874
bonds (distance) P-C4' energy: -152.217
flat angles C4'-P-C4' energy: -187.199
flat angles P-C4'-P energy: -112.573
tors. eta vs tors. theta energy: -246.450
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: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2647.207655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.207655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.967367 (E_RNA)
where:
Base-Base interactions energy: -1860.982
where: short stacking energy: -757.220
Base-Backbone interact. energy: 4.085
local terms energy: -791.070567
where:
bonds (distance) C4'-P energy: -134.527
bonds (distance) P-C4' energy: -151.518
flat angles C4'-P-C4' energy: -169.694
flat angles P-C4'-P energy: -121.479
tors. eta vs tors. theta energy: -213.854
Dist. restrs. and SS energy: 0.760 (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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2601.981109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.981109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.144694 (E_RNA)
where:
Base-Base interactions energy: -1776.637
where: short stacking energy: -773.734
Base-Backbone interact. energy: -3.326
local terms energy: -824.181596
where:
bonds (distance) C4'-P energy: -143.078
bonds (distance) P-C4' energy: -151.330
flat angles C4'-P-C4' energy: -186.359
flat angles P-C4'-P energy: -110.982
tors. eta vs tors. theta energy: -232.432
Dist. restrs. and SS energy: 2.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2455.058199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.058199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.660002 (E_RNA)
where:
Base-Base interactions energy: -1685.350
where: short stacking energy: -704.254
Base-Backbone interact. energy: -1.912
local terms energy: -769.397858
where:
bonds (distance) C4'-P energy: -142.009
bonds (distance) P-C4' energy: -157.057
flat angles C4'-P-C4' energy: -162.900
flat angles P-C4'-P energy: -102.855
tors. eta vs tors. theta energy: -204.577
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: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2245.185076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.185076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.381205 (E_RNA)
where:
Base-Base interactions energy: -1519.827
where: short stacking energy: -629.182
Base-Backbone interact. energy: -0.819
local terms energy: -726.734869
where:
bonds (distance) C4'-P energy: -147.481
bonds (distance) P-C4' energy: -129.786
flat angles C4'-P-C4' energy: -152.740
flat angles P-C4'-P energy: -102.277
tors. eta vs tors. theta energy: -194.451
Dist. restrs. and SS energy: 2.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2162.156673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.156673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.925067 (E_RNA)
where:
Base-Base interactions energy: -1489.696
where: short stacking energy: -630.647
Base-Backbone interact. energy: -2.280
local terms energy: -671.948680
where:
bonds (distance) C4'-P energy: -141.620
bonds (distance) P-C4' energy: -126.248
flat angles C4'-P-C4' energy: -141.173
flat angles P-C4'-P energy: -94.283
tors. eta vs tors. theta energy: -168.625
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -2045.574818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.574818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.789554 (E_RNA)
where:
Base-Base interactions energy: -1370.513
where: short stacking energy: -567.270
Base-Backbone interact. energy: 4.880
local terms energy: -682.156378
where:
bonds (distance) C4'-P energy: -127.540
bonds (distance) P-C4' energy: -130.520
flat angles C4'-P-C4' energy: -159.699
flat angles P-C4'-P energy: -111.563
tors. eta vs tors. theta energy: -152.834
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1930.011646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.011646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.201028 (E_RNA)
where:
Base-Base interactions energy: -1300.131
where: short stacking energy: -528.813
Base-Backbone interact. energy: 0.106
local terms energy: -633.175562
where:
bonds (distance) C4'-P energy: -143.985
bonds (distance) P-C4' energy: -141.440
flat angles C4'-P-C4' energy: -132.920
flat angles P-C4'-P energy: -75.900
tors. eta vs tors. theta energy: -138.931
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: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1890.648356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.648356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.599724 (E_RNA)
where:
Base-Base interactions energy: -1247.784
where: short stacking energy: -520.881
Base-Backbone interact. energy: 4.498
local terms energy: -651.314000
where:
bonds (distance) C4'-P energy: -127.320
bonds (distance) P-C4' energy: -145.920
flat angles C4'-P-C4' energy: -135.513
flat angles P-C4'-P energy: -105.122
tors. eta vs tors. theta energy: -137.438
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: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2922.477019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.477019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.451522 (E_RNA)
where:
Base-Base interactions energy: -2058.472
where: short stacking energy: -863.646
Base-Backbone interact. energy: -1.301
local terms energy: -864.679061
where:
bonds (distance) C4'-P energy: -153.712
bonds (distance) P-C4' energy: -171.920
flat angles C4'-P-C4' energy: -180.079
flat angles P-C4'-P energy: -118.007
tors. eta vs tors. theta energy: -240.962
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2857.813504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.813504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.942566 (E_RNA)
where:
Base-Base interactions energy: -1997.908
where: short stacking energy: -803.370
Base-Backbone interact. energy: -4.524
local terms energy: -857.509861
where:
bonds (distance) C4'-P energy: -155.528
bonds (distance) P-C4' energy: -156.686
flat angles C4'-P-C4' energy: -176.394
flat angles P-C4'-P energy: -120.671
tors. eta vs tors. theta energy: -248.231
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: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2712.699696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.699696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.920042 (E_RNA)
where:
Base-Base interactions energy: -1848.730
where: short stacking energy: -800.098
Base-Backbone interact. energy: -0.676
local terms energy: -865.513819
where:
bonds (distance) C4'-P energy: -157.086
bonds (distance) P-C4' energy: -160.304
flat angles C4'-P-C4' energy: -192.882
flat angles P-C4'-P energy: -121.060
tors. eta vs tors. theta energy: -234.181
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2596.610120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.610120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.925969 (E_RNA)
where:
Base-Base interactions energy: -1790.505
where: short stacking energy: -746.673
Base-Backbone interact. energy: 3.973
local terms energy: -811.393312
where:
bonds (distance) C4'-P energy: -141.662
bonds (distance) P-C4' energy: -142.933
flat angles C4'-P-C4' energy: -177.192
flat angles P-C4'-P energy: -113.896
tors. eta vs tors. theta energy: -235.710
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: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2412.305515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.305515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.897630 (E_RNA)
where:
Base-Base interactions energy: -1659.910
where: short stacking energy: -700.860
Base-Backbone interact. energy: 1.616
local terms energy: -755.603247
where:
bonds (distance) C4'-P energy: -131.418
bonds (distance) P-C4' energy: -137.826
flat angles C4'-P-C4' energy: -167.964
flat angles P-C4'-P energy: -110.526
tors. eta vs tors. theta energy: -207.869
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2308.744222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.744222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.808967 (E_RNA)
where:
Base-Base interactions energy: -1555.798
where: short stacking energy: -676.206
Base-Backbone interact. energy: 6.331
local terms energy: -762.342035
where:
bonds (distance) C4'-P energy: -153.643
bonds (distance) P-C4' energy: -150.586
flat angles C4'-P-C4' energy: -157.677
flat angles P-C4'-P energy: -102.823
tors. eta vs tors. theta energy: -197.612
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2201.380828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.380828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.651519 (E_RNA)
where:
Base-Base interactions energy: -1488.291
where: short stacking energy: -648.851
Base-Backbone interact. energy: -1.170
local terms energy: -714.189794
where:
bonds (distance) C4'-P energy: -120.337
bonds (distance) P-C4' energy: -145.877
flat angles C4'-P-C4' energy: -159.728
flat angles P-C4'-P energy: -104.819
tors. eta vs tors. theta energy: -183.429
Dist. restrs. and SS energy: 2.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2052.695860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.695860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.583901 (E_RNA)
where:
Base-Base interactions energy: -1377.476
where: short stacking energy: -592.323
Base-Backbone interact. energy: 4.423
local terms energy: -682.531601
where:
bonds (distance) C4'-P energy: -132.310
bonds (distance) P-C4' energy: -137.416
flat angles C4'-P-C4' energy: -150.169
flat angles P-C4'-P energy: -107.950
tors. eta vs tors. theta energy: -154.688
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: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1946.582617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.582617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.742524 (E_RNA)
where:
Base-Base interactions energy: -1328.601
where: short stacking energy: -536.730
Base-Backbone interact. energy: 4.735
local terms energy: -624.877311
where:
bonds (distance) C4'-P energy: -134.390
bonds (distance) P-C4' energy: -137.053
flat angles C4'-P-C4' energy: -136.371
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -135.788
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: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1854.977951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.977951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.844797 (E_RNA)
where:
Base-Base interactions energy: -1259.981
where: short stacking energy: -544.627
Base-Backbone interact. energy: 4.186
local terms energy: -601.049412
where:
bonds (distance) C4'-P energy: -105.829
bonds (distance) P-C4' energy: -121.649
flat angles C4'-P-C4' energy: -138.132
flat angles P-C4'-P energy: -86.319
tors. eta vs tors. theta energy: -149.121
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: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2916.077711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.077711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.537454 (E_RNA)
where:
Base-Base interactions energy: -2032.481
where: short stacking energy: -872.516
Base-Backbone interact. energy: -1.497
local terms energy: -884.559067
where:
bonds (distance) C4'-P energy: -160.552
bonds (distance) P-C4' energy: -151.020
flat angles C4'-P-C4' energy: -193.762
flat angles P-C4'-P energy: -130.884
tors. eta vs tors. theta energy: -248.341
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: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2880.526730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.570983 (E_RNA)
where:
Base-Base interactions energy: -1993.152
where: short stacking energy: -806.022
Base-Backbone interact. energy: -6.290
local terms energy: -883.128599
where:
bonds (distance) C4'-P energy: -158.640
bonds (distance) P-C4' energy: -168.413
flat angles C4'-P-C4' energy: -183.965
flat angles P-C4'-P energy: -127.566
tors. eta vs tors. theta energy: -244.545
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2646.672375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.672375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.747813 (E_RNA)
where:
Base-Base interactions energy: -1851.321
where: short stacking energy: -759.067
Base-Backbone interact. energy: 1.339
local terms energy: -798.766183
where:
bonds (distance) C4'-P energy: -146.995
bonds (distance) P-C4' energy: -143.051
flat angles C4'-P-C4' energy: -167.859
flat angles P-C4'-P energy: -118.987
tors. eta vs tors. theta energy: -221.874
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2608.746822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.746822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.543055 (E_RNA)
where:
Base-Base interactions energy: -1807.197
where: short stacking energy: -745.458
Base-Backbone interact. energy: -2.634
local terms energy: -800.711133
where:
bonds (distance) C4'-P energy: -128.150
bonds (distance) P-C4' energy: -144.119
flat angles C4'-P-C4' energy: -177.004
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -240.095
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: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2375.082860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.082860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.000281 (E_RNA)
where:
Base-Base interactions energy: -1615.023
where: short stacking energy: -715.770
Base-Backbone interact. energy: -0.791
local terms energy: -761.186096
where:
bonds (distance) C4'-P energy: -141.439
bonds (distance) P-C4' energy: -141.434
flat angles C4'-P-C4' energy: -168.762
flat angles P-C4'-P energy: -100.642
tors. eta vs tors. theta energy: -208.908
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: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2274.346264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.346264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.209850 (E_RNA)
where:
Base-Base interactions energy: -1532.441
where: short stacking energy: -639.775
Base-Backbone interact. energy: 1.614
local terms energy: -746.383135
where:
bonds (distance) C4'-P energy: -141.638
bonds (distance) P-C4' energy: -152.169
flat angles C4'-P-C4' energy: -168.056
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -190.048
Dist. restrs. and SS energy: 2.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2160.666146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.666146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.537488 (E_RNA)
where:
Base-Base interactions energy: -1514.129
where: short stacking energy: -634.365
Base-Backbone interact. energy: 6.140
local terms energy: -654.549194
where:
bonds (distance) C4'-P energy: -124.840
bonds (distance) P-C4' energy: -134.506
flat angles C4'-P-C4' energy: -157.345
flat angles P-C4'-P energy: -77.213
tors. eta vs tors. theta energy: -160.645
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2042.027578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.027578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.595976 (E_RNA)
where:
Base-Base interactions energy: -1366.589
where: short stacking energy: -596.366
Base-Backbone interact. energy: -0.661
local terms energy: -677.346588
where:
bonds (distance) C4'-P energy: -135.112
bonds (distance) P-C4' energy: -140.412
flat angles C4'-P-C4' energy: -156.338
flat angles P-C4'-P energy: -96.162
tors. eta vs tors. theta energy: -149.323
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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1958.778639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.778639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.899619 (E_RNA)
where:
Base-Base interactions energy: -1288.985
where: short stacking energy: -531.753
Base-Backbone interact. energy: -1.502
local terms energy: -672.413191
where:
bonds (distance) C4'-P energy: -138.782
bonds (distance) P-C4' energy: -140.757
flat angles C4'-P-C4' energy: -156.558
flat angles P-C4'-P energy: -91.384
tors. eta vs tors. theta energy: -144.931
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: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1819.433779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.433779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.363545 (E_RNA)
where:
Base-Base interactions energy: -1264.625
where: short stacking energy: -529.558
Base-Backbone interact. energy: 8.261
local terms energy: -566.999768
where:
bonds (distance) C4'-P energy: -124.628
bonds (distance) P-C4' energy: -119.994
flat angles C4'-P-C4' energy: -127.423
flat angles P-C4'-P energy: -70.490
tors. eta vs tors. theta energy: -124.464
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2903.768909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.768909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.401881 (E_RNA)
where:
Base-Base interactions energy: -2023.833
where: short stacking energy: -857.816
Base-Backbone interact. energy: -3.982
local terms energy: -878.586933
where:
bonds (distance) C4'-P energy: -160.453
bonds (distance) P-C4' energy: -153.409
flat angles C4'-P-C4' energy: -190.911
flat angles P-C4'-P energy: -122.780
tors. eta vs tors. theta energy: -251.034
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2893.245133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.245133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.420799 (E_RNA)
where:
Base-Base interactions energy: -2014.607
where: short stacking energy: -829.584
Base-Backbone interact. energy: -4.953
local terms energy: -875.859921
where:
bonds (distance) C4'-P energy: -151.638
bonds (distance) P-C4' energy: -165.170
flat angles C4'-P-C4' energy: -198.274
flat angles P-C4'-P energy: -121.362
tors. eta vs tors. theta energy: -239.416
Dist. restrs. and SS energy: 2.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2643.951134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.951134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.308257 (E_RNA)
where:
Base-Base interactions energy: -1807.967
where: short stacking energy: -768.837
Base-Backbone interact. energy: -5.924
local terms energy: -832.417506
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -155.502
flat angles C4'-P-C4' energy: -183.292
flat angles P-C4'-P energy: -118.645
tors. eta vs tors. theta energy: -229.058
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2602.525315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.525315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.916954 (E_RNA)
where:
Base-Base interactions energy: -1789.243
where: short stacking energy: -765.444
Base-Backbone interact. energy: -0.820
local terms energy: -813.853770
where:
bonds (distance) C4'-P energy: -140.690
bonds (distance) P-C4' energy: -151.930
flat angles C4'-P-C4' energy: -182.361
flat angles P-C4'-P energy: -122.105
tors. eta vs tors. theta energy: -216.768
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: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2376.151464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.151464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.322029 (E_RNA)
where:
Base-Base interactions energy: -1624.469
where: short stacking energy: -721.391
Base-Backbone interact. energy: 6.226
local terms energy: -761.078745
where:
bonds (distance) C4'-P energy: -137.743
bonds (distance) P-C4' energy: -141.320
flat angles C4'-P-C4' energy: -165.238
flat angles P-C4'-P energy: -103.774
tors. eta vs tors. theta energy: -213.004
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: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2275.684422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.684422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.020318 (E_RNA)
where:
Base-Base interactions energy: -1566.555
where: short stacking energy: -682.945
Base-Backbone interact. energy: 1.040
local terms energy: -711.505555
where:
bonds (distance) C4'-P energy: -113.439
bonds (distance) P-C4' energy: -130.167
flat angles C4'-P-C4' energy: -166.044
flat angles P-C4'-P energy: -101.559
tors. eta vs tors. theta energy: -200.298
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2156.918593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.918593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.264205 (E_RNA)
where:
Base-Base interactions energy: -1430.791
where: short stacking energy: -587.257
Base-Backbone interact. energy: -1.841
local terms energy: -727.631763
where:
bonds (distance) C4'-P energy: -157.779
bonds (distance) P-C4' energy: -144.028
flat angles C4'-P-C4' energy: -159.351
flat angles P-C4'-P energy: -103.227
tors. eta vs tors. theta energy: -163.246
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: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1972.123199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.123199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.737794 (E_RNA)
where:
Base-Base interactions energy: -1330.562
where: short stacking energy: -535.643
Base-Backbone interact. energy: -1.521
local terms energy: -642.655288
where:
bonds (distance) C4'-P energy: -126.258
bonds (distance) P-C4' energy: -153.267
flat angles C4'-P-C4' energy: -143.675
flat angles P-C4'-P energy: -95.180
tors. eta vs tors. theta energy: -124.274
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -2006.917677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.917677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.881556 (E_RNA)
where:
Base-Base interactions energy: -1371.230
where: short stacking energy: -564.976
Base-Backbone interact. energy: 4.381
local terms energy: -644.032198
where:
bonds (distance) C4'-P energy: -123.905
bonds (distance) P-C4' energy: -124.602
flat angles C4'-P-C4' energy: -141.828
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -153.259
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: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1881.724775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.724775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.935773 (E_RNA)
where:
Base-Base interactions energy: -1271.357
where: short stacking energy: -529.384
Base-Backbone interact. energy: 5.092
local terms energy: -617.670723
where:
bonds (distance) C4'-P energy: -122.192
bonds (distance) P-C4' energy: -150.124
flat angles C4'-P-C4' energy: -126.563
flat angles P-C4'-P energy: -77.151
tors. eta vs tors. theta energy: -141.641
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2890.476135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.476135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.796841 (E_RNA)
where:
Base-Base interactions energy: -1981.426
where: short stacking energy: -849.174
Base-Backbone interact. energy: 0.485
local terms energy: -912.856452
where:
bonds (distance) C4'-P energy: -166.473
bonds (distance) P-C4' energy: -174.395
flat angles C4'-P-C4' energy: -191.301
flat angles P-C4'-P energy: -125.809
tors. eta vs tors. theta energy: -254.877
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: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2842.514030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.514030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.628767 (E_RNA)
where:
Base-Base interactions energy: -1990.763
where: short stacking energy: -804.648
Base-Backbone interact. energy: -3.943
local terms energy: -849.922184
where:
bonds (distance) C4'-P energy: -145.972
bonds (distance) P-C4' energy: -149.354
flat angles C4'-P-C4' energy: -194.666
flat angles P-C4'-P energy: -124.863
tors. eta vs tors. theta energy: -235.068
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2674.454643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.454643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.636415 (E_RNA)
where:
Base-Base interactions energy: -1835.222
where: short stacking energy: -764.012
Base-Backbone interact. energy: -3.782
local terms energy: -838.632716
where:
bonds (distance) C4'-P energy: -161.673
bonds (distance) P-C4' energy: -159.011
flat angles C4'-P-C4' energy: -174.660
flat angles P-C4'-P energy: -122.313
tors. eta vs tors. theta energy: -220.976
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: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2617.888567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.888567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.695437 (E_RNA)
where:
Base-Base interactions energy: -1818.576
where: short stacking energy: -763.229
Base-Backbone interact. energy: -2.188
local terms energy: -797.932030
where:
bonds (distance) C4'-P energy: -151.975
bonds (distance) P-C4' energy: -132.314
flat angles C4'-P-C4' energy: -171.657
flat angles P-C4'-P energy: -110.968
tors. eta vs tors. theta energy: -231.018
Dist. restrs. and SS energy: 0.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2406.960830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.960830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.783147 (E_RNA)
where:
Base-Base interactions energy: -1628.568
where: short stacking energy: -705.530
Base-Backbone interact. energy: -3.292
local terms energy: -776.923055
where:
bonds (distance) C4'-P energy: -147.595
bonds (distance) P-C4' energy: -147.544
flat angles C4'-P-C4' energy: -168.035
flat angles P-C4'-P energy: -103.029
tors. eta vs tors. theta energy: -210.721
Dist. restrs. and SS energy: 1.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2235.225093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.225093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.079962 (E_RNA)
where:
Base-Base interactions energy: -1503.456
where: short stacking energy: -619.416
Base-Backbone interact. energy: 2.086
local terms energy: -735.710656
where:
bonds (distance) C4'-P energy: -140.092
bonds (distance) P-C4' energy: -157.222
flat angles C4'-P-C4' energy: -162.169
flat angles P-C4'-P energy: -110.559
tors. eta vs tors. theta energy: -165.669
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2148.568861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.568861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.951708 (E_RNA)
where:
Base-Base interactions energy: -1475.339
where: short stacking energy: -647.697
Base-Backbone interact. energy: 0.349
local terms energy: -675.962381
where:
bonds (distance) C4'-P energy: -127.910
bonds (distance) P-C4' energy: -119.344
flat angles C4'-P-C4' energy: -144.781
flat angles P-C4'-P energy: -108.859
tors. eta vs tors. theta energy: -175.068
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2008.192737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.192737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.964843 (E_RNA)
where:
Base-Base interactions energy: -1335.549
where: short stacking energy: -585.277
Base-Backbone interact. energy: -1.184
local terms energy: -674.232263
where:
bonds (distance) C4'-P energy: -148.016
bonds (distance) P-C4' energy: -117.633
flat angles C4'-P-C4' energy: -139.906
flat angles P-C4'-P energy: -112.105
tors. eta vs tors. theta energy: -156.572
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1959.671637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.671637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.109304 (E_RNA)
where:
Base-Base interactions energy: -1324.019
where: short stacking energy: -573.315
Base-Backbone interact. energy: 0.685
local terms energy: -640.775299
where:
bonds (distance) C4'-P energy: -109.197
bonds (distance) P-C4' energy: -147.586
flat angles C4'-P-C4' energy: -151.098
flat angles P-C4'-P energy: -73.779
tors. eta vs tors. theta energy: -159.115
Dist. restrs. and SS energy: 4.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1867.542199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.542199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.782278 (E_RNA)
where:
Base-Base interactions energy: -1273.762
where: short stacking energy: -544.097
Base-Backbone interact. energy: 1.930
local terms energy: -598.951091
where:
bonds (distance) C4'-P energy: -127.312
bonds (distance) P-C4' energy: -130.579
flat angles C4'-P-C4' energy: -124.589
flat angles P-C4'-P energy: -65.515
tors. eta vs tors. theta energy: -150.957
Dist. restrs. and SS energy: 3.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2893.724509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.724509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.376011 (E_RNA)
where:
Base-Base interactions energy: -2010.090
where: short stacking energy: -837.667
Base-Backbone interact. energy: -2.723
local terms energy: -884.562660
where:
bonds (distance) C4'-P energy: -161.416
bonds (distance) P-C4' energy: -163.841
flat angles C4'-P-C4' energy: -190.870
flat angles P-C4'-P energy: -125.460
tors. eta vs tors. theta energy: -242.975
Dist. restrs. and SS energy: 3.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2842.184852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.184852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.801493 (E_RNA)
where:
Base-Base interactions energy: -1963.991
where: short stacking energy: -801.854
Base-Backbone interact. energy: -2.974
local terms energy: -878.836604
where:
bonds (distance) C4'-P energy: -155.866
bonds (distance) P-C4' energy: -152.597
flat angles C4'-P-C4' energy: -190.749
flat angles P-C4'-P energy: -129.859
tors. eta vs tors. theta energy: -249.764
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: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2628.615563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.615563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.848050 (E_RNA)
where:
Base-Base interactions energy: -1816.548
where: short stacking energy: -759.997
Base-Backbone interact. energy: -3.050
local terms energy: -812.250374
where:
bonds (distance) C4'-P energy: -163.249
bonds (distance) P-C4' energy: -156.731
flat angles C4'-P-C4' energy: -161.248
flat angles P-C4'-P energy: -120.374
tors. eta vs tors. theta energy: -210.648
Dist. restrs. and SS energy: 3.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2634.180235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.180235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.625976 (E_RNA)
where:
Base-Base interactions energy: -1827.591
where: short stacking energy: -778.088
Base-Backbone interact. energy: 2.667
local terms energy: -811.702071
where:
bonds (distance) C4'-P energy: -138.397
bonds (distance) P-C4' energy: -154.528
flat angles C4'-P-C4' energy: -182.997
flat angles P-C4'-P energy: -111.421
tors. eta vs tors. theta energy: -224.358
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: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2384.550216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.550216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.666565 (E_RNA)
where:
Base-Base interactions energy: -1598.965
where: short stacking energy: -690.616
Base-Backbone interact. energy: 3.036
local terms energy: -790.737579
where:
bonds (distance) C4'-P energy: -153.052
bonds (distance) P-C4' energy: -145.827
flat angles C4'-P-C4' energy: -170.726
flat angles P-C4'-P energy: -115.869
tors. eta vs tors. theta energy: -205.263
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2282.629232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.629232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.477061 (E_RNA)
where:
Base-Base interactions energy: -1527.921
where: short stacking energy: -623.366
Base-Backbone interact. energy: 2.027
local terms energy: -757.583423
where:
bonds (distance) C4'-P energy: -149.035
bonds (distance) P-C4' energy: -143.518
flat angles C4'-P-C4' energy: -157.866
flat angles P-C4'-P energy: -113.565
tors. eta vs tors. theta energy: -193.599
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2194.806768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.806768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.558011 (E_RNA)
where:
Base-Base interactions energy: -1472.455
where: short stacking energy: -624.199
Base-Backbone interact. energy: -2.118
local terms energy: -721.984828
where:
bonds (distance) C4'-P energy: -122.614
bonds (distance) P-C4' energy: -155.735
flat angles C4'-P-C4' energy: -163.483
flat angles P-C4'-P energy: -104.220
tors. eta vs tors. theta energy: -175.933
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: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2023.367714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.367714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.233843 (E_RNA)
where:
Base-Base interactions energy: -1383.039
where: short stacking energy: -583.332
Base-Backbone interact. energy: 6.965
local terms energy: -649.160441
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -136.475
flat angles C4'-P-C4' energy: -133.079
flat angles P-C4'-P energy: -98.126
tors. eta vs tors. theta energy: -168.593
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: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1939.546218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.546218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.125442 (E_RNA)
where:
Base-Base interactions energy: -1325.363
where: short stacking energy: -557.993
Base-Backbone interact. energy: 4.390
local terms energy: -622.152965
where:
bonds (distance) C4'-P energy: -142.900
bonds (distance) P-C4' energy: -111.030
flat angles C4'-P-C4' energy: -133.229
flat angles P-C4'-P energy: -87.758
tors. eta vs tors. theta energy: -147.235
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1875.273941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.273941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.963636 (E_RNA)
where:
Base-Base interactions energy: -1281.222
where: short stacking energy: -534.829
Base-Backbone interact. energy: 0.166
local terms energy: -596.907938
where:
bonds (distance) C4'-P energy: -138.091
bonds (distance) P-C4' energy: -97.784
flat angles C4'-P-C4' energy: -136.160
flat angles P-C4'-P energy: -80.503
tors. eta vs tors. theta energy: -144.370
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: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2892.355831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.355831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.070093 (E_RNA)
where:
Base-Base interactions energy: -2016.692
where: short stacking energy: -836.724
Base-Backbone interact. energy: -6.621
local terms energy: -871.757051
where:
bonds (distance) C4'-P energy: -156.483
bonds (distance) P-C4' energy: -165.016
flat angles C4'-P-C4' energy: -183.106
flat angles P-C4'-P energy: -123.890
tors. eta vs tors. theta energy: -243.263
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2816.863431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.863431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.284443 (E_RNA)
where:
Base-Base interactions energy: -1970.906
where: short stacking energy: -825.462
Base-Backbone interact. energy: -3.780
local terms energy: -844.598533
where:
bonds (distance) C4'-P energy: -149.167
bonds (distance) P-C4' energy: -156.316
flat angles C4'-P-C4' energy: -188.832
flat angles P-C4'-P energy: -120.580
tors. eta vs tors. theta energy: -229.703
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2600.643423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.643423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.600759 (E_RNA)
where:
Base-Base interactions energy: -1805.309
where: short stacking energy: -756.168
Base-Backbone interact. energy: 4.927
local terms energy: -801.219048
where:
bonds (distance) C4'-P energy: -154.341
bonds (distance) P-C4' energy: -143.349
flat angles C4'-P-C4' energy: -175.803
flat angles P-C4'-P energy: -120.780
tors. eta vs tors. theta energy: -206.946
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2645.381181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.381181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.972501 (E_RNA)
where:
Base-Base interactions energy: -1837.581
where: short stacking energy: -762.363
Base-Backbone interact. energy: -2.271
local terms energy: -809.120613
where:
bonds (distance) C4'-P energy: -156.455
bonds (distance) P-C4' energy: -143.396
flat angles C4'-P-C4' energy: -165.226
flat angles P-C4'-P energy: -117.791
tors. eta vs tors. theta energy: -226.253
Dist. restrs. and SS energy: 3.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2411.797452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.797452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.041174 (E_RNA)
where:
Base-Base interactions energy: -1643.811
where: short stacking energy: -682.834
Base-Backbone interact. energy: -1.811
local terms energy: -768.419016
where:
bonds (distance) C4'-P energy: -138.541
bonds (distance) P-C4' energy: -155.545
flat angles C4'-P-C4' energy: -172.325
flat angles P-C4'-P energy: -98.780
tors. eta vs tors. theta energy: -203.229
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2307.713339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.713339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.685611 (E_RNA)
where:
Base-Base interactions energy: -1555.654
where: short stacking energy: -667.172
Base-Backbone interact. energy: -4.758
local terms energy: -749.273647
where:
bonds (distance) C4'-P energy: -148.797
bonds (distance) P-C4' energy: -151.557
flat angles C4'-P-C4' energy: -160.079
flat angles P-C4'-P energy: -105.821
tors. eta vs tors. theta energy: -183.020
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2193.547305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.547305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.423197 (E_RNA)
where:
Base-Base interactions energy: -1494.628
where: short stacking energy: -662.207
Base-Backbone interact. energy: 5.319
local terms energy: -707.113887
where:
bonds (distance) C4'-P energy: -137.683
bonds (distance) P-C4' energy: -136.706
flat angles C4'-P-C4' energy: -158.985
flat angles P-C4'-P energy: -99.463
tors. eta vs tors. theta energy: -174.278
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: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2031.789768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.789768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.899525 (E_RNA)
where:
Base-Base interactions energy: -1399.199
where: short stacking energy: -605.428
Base-Backbone interact. energy: -1.360
local terms energy: -632.340383
where:
bonds (distance) C4'-P energy: -127.480
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -147.442
flat angles P-C4'-P energy: -77.731
tors. eta vs tors. theta energy: -150.434
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: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1951.896790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.896790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.486249 (E_RNA)
where:
Base-Base interactions energy: -1355.328
where: short stacking energy: -572.177
Base-Backbone interact. energy: 1.820
local terms energy: -601.977990
where:
bonds (distance) C4'-P energy: -114.180
bonds (distance) P-C4' energy: -138.310
flat angles C4'-P-C4' energy: -126.851
flat angles P-C4'-P energy: -74.484
tors. eta vs tors. theta energy: -148.153
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: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1865.577674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.577674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.508523 (E_RNA)
where:
Base-Base interactions energy: -1275.762
where: short stacking energy: -510.867
Base-Backbone interact. energy: -3.446
local terms energy: -588.299853
where:
bonds (distance) C4'-P energy: -147.259
bonds (distance) P-C4' energy: -110.100
flat angles C4'-P-C4' energy: -130.637
flat angles P-C4'-P energy: -83.920
tors. eta vs tors. theta energy: -116.384
Dist. restrs. and SS energy: 1.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2890.484612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.484612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.538351 (E_RNA)
where:
Base-Base interactions energy: -2000.793
where: short stacking energy: -818.590
Base-Backbone interact. energy: -1.002
local terms energy: -890.743368
where:
bonds (distance) C4'-P energy: -155.031
bonds (distance) P-C4' energy: -172.609
flat angles C4'-P-C4' energy: -185.846
flat angles P-C4'-P energy: -135.486
tors. eta vs tors. theta energy: -241.773
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2840.767851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.767851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.003387 (E_RNA)
where:
Base-Base interactions energy: -1998.342
where: short stacking energy: -817.921
Base-Backbone interact. energy: -2.217
local terms energy: -842.444869
where:
bonds (distance) C4'-P energy: -153.399
bonds (distance) P-C4' energy: -157.688
flat angles C4'-P-C4' energy: -169.654
flat angles P-C4'-P energy: -122.025
tors. eta vs tors. theta energy: -239.679
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: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2706.061200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.061200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.485869 (E_RNA)
where:
Base-Base interactions energy: -1893.201
where: short stacking energy: -797.918
Base-Backbone interact. energy: -3.323
local terms energy: -810.962092
where:
bonds (distance) C4'-P energy: -153.200
bonds (distance) P-C4' energy: -152.782
flat angles C4'-P-C4' energy: -174.844
flat angles P-C4'-P energy: -109.139
tors. eta vs tors. theta energy: -220.998
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2591.341641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.341641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.240139 (E_RNA)
where:
Base-Base interactions energy: -1793.716
where: short stacking energy: -753.977
Base-Backbone interact. energy: 0.026
local terms energy: -799.550827
where:
bonds (distance) C4'-P energy: -142.061
bonds (distance) P-C4' energy: -148.086
flat angles C4'-P-C4' energy: -170.453
flat angles P-C4'-P energy: -116.151
tors. eta vs tors. theta energy: -222.800
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2413.241818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.334779 (E_RNA)
where:
Base-Base interactions energy: -1656.535
where: short stacking energy: -704.128
Base-Backbone interact. energy: 1.830
local terms energy: -760.629889
where:
bonds (distance) C4'-P energy: -151.520
bonds (distance) P-C4' energy: -136.933
flat angles C4'-P-C4' energy: -161.163
flat angles P-C4'-P energy: -108.087
tors. eta vs tors. theta energy: -202.928
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2298.353442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.353442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.403918 (E_RNA)
where:
Base-Base interactions energy: -1580.883
where: short stacking energy: -652.258
Base-Backbone interact. energy: -3.195
local terms energy: -716.326137
where:
bonds (distance) C4'-P energy: -132.305
bonds (distance) P-C4' energy: -140.349
flat angles C4'-P-C4' energy: -161.335
flat angles P-C4'-P energy: -95.442
tors. eta vs tors. theta energy: -186.895
Dist. restrs. and SS energy: 2.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2177.953183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.953183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.502425 (E_RNA)
where:
Base-Base interactions energy: -1515.711
where: short stacking energy: -638.159
Base-Backbone interact. energy: 1.823
local terms energy: -666.614897
where:
bonds (distance) C4'-P energy: -143.211
bonds (distance) P-C4' energy: -110.528
flat angles C4'-P-C4' energy: -148.536
flat angles P-C4'-P energy: -92.008
tors. eta vs tors. theta energy: -172.332
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2008.974535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.974535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.362001 (E_RNA)
where:
Base-Base interactions energy: -1331.677
where: short stacking energy: -567.431
Base-Backbone interact. energy: -3.183
local terms energy: -677.502515
where:
bonds (distance) C4'-P energy: -146.324
bonds (distance) P-C4' energy: -137.216
flat angles C4'-P-C4' energy: -150.792
flat angles P-C4'-P energy: -80.791
tors. eta vs tors. theta energy: -162.381
Dist. restrs. and SS energy: 3.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -2007.877878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.877878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.316879 (E_RNA)
where:
Base-Base interactions energy: -1350.692
where: short stacking energy: -585.139
Base-Backbone interact. energy: 3.355
local terms energy: -662.979779
where:
bonds (distance) C4'-P energy: -133.132
bonds (distance) P-C4' energy: -131.809
flat angles C4'-P-C4' energy: -148.143
flat angles P-C4'-P energy: -88.163
tors. eta vs tors. theta energy: -161.732
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1891.611146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.611146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.165215 (E_RNA)
where:
Base-Base interactions energy: -1284.449
where: short stacking energy: -549.109
Base-Backbone interact. energy: 3.264
local terms energy: -612.980185
where:
bonds (distance) C4'-P energy: -133.959
bonds (distance) P-C4' energy: -123.645
flat angles C4'-P-C4' energy: -144.535
flat angles P-C4'-P energy: -80.081
tors. eta vs tors. theta energy: -130.760
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2928.625512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.625512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.234691 (E_RNA)
where:
Base-Base interactions energy: -2024.805
where: short stacking energy: -868.253
Base-Backbone interact. energy: -4.223
local terms energy: -901.206227
where:
bonds (distance) C4'-P energy: -150.244
bonds (distance) P-C4' energy: -168.299
flat angles C4'-P-C4' energy: -201.480
flat angles P-C4'-P energy: -123.393
tors. eta vs tors. theta energy: -257.791
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2888.375915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.375915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.692256 (E_RNA)
where:
Base-Base interactions energy: -1999.194
where: short stacking energy: -831.519
Base-Backbone interact. energy: -6.045
local terms energy: -884.453439
where:
bonds (distance) C4'-P energy: -165.437
bonds (distance) P-C4' energy: -170.017
flat angles C4'-P-C4' energy: -195.082
flat angles P-C4'-P energy: -117.256
tors. eta vs tors. theta energy: -236.661
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2722.303272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.303272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.722200 (E_RNA)
where:
Base-Base interactions energy: -1861.796
where: short stacking energy: -807.973
Base-Backbone interact. energy: 0.391
local terms energy: -863.317397
where:
bonds (distance) C4'-P energy: -154.320
bonds (distance) P-C4' energy: -163.594
flat angles C4'-P-C4' energy: -176.131
flat angles P-C4'-P energy: -121.577
tors. eta vs tors. theta energy: -247.696
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2614.092628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.092628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.034027 (E_RNA)
where:
Base-Base interactions energy: -1799.834
where: short stacking energy: -754.802
Base-Backbone interact. energy: -3.448
local terms energy: -812.751420
where:
bonds (distance) C4'-P energy: -154.178
bonds (distance) P-C4' energy: -159.944
flat angles C4'-P-C4' energy: -160.653
flat angles P-C4'-P energy: -119.264
tors. eta vs tors. theta energy: -218.712
Dist. restrs. and SS energy: 1.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2399.177217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.177217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.709914 (E_RNA)
where:
Base-Base interactions energy: -1648.529
where: short stacking energy: -698.573
Base-Backbone interact. energy: 5.899
local terms energy: -759.079824
where:
bonds (distance) C4'-P energy: -141.405
bonds (distance) P-C4' energy: -151.498
flat angles C4'-P-C4' energy: -162.794
flat angles P-C4'-P energy: -104.396
tors. eta vs tors. theta energy: -198.986
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: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2276.667311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.667311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.602219 (E_RNA)
where:
Base-Base interactions energy: -1556.204
where: short stacking energy: -679.470
Base-Backbone interact. energy: -1.929
local terms energy: -720.469106
where:
bonds (distance) C4'-P energy: -123.590
bonds (distance) P-C4' energy: -144.915
flat angles C4'-P-C4' energy: -159.901
flat angles P-C4'-P energy: -120.379
tors. eta vs tors. theta energy: -171.684
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2200.412263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.412263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.620126 (E_RNA)
where:
Base-Base interactions energy: -1484.890
where: short stacking energy: -644.522
Base-Backbone interact. energy: -1.530
local terms energy: -716.200463
where:
bonds (distance) C4'-P energy: -136.210
bonds (distance) P-C4' energy: -146.394
flat angles C4'-P-C4' energy: -159.804
flat angles P-C4'-P energy: -109.152
tors. eta vs tors. theta energy: -164.640
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2022.347858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.347858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.748074 (E_RNA)
where:
Base-Base interactions energy: -1349.415
where: short stacking energy: -548.652
Base-Backbone interact. energy: 0.225
local terms energy: -676.558033
where:
bonds (distance) C4'-P energy: -132.817
bonds (distance) P-C4' energy: -141.574
flat angles C4'-P-C4' energy: -151.632
flat angles P-C4'-P energy: -105.658
tors. eta vs tors. theta energy: -144.877
Dist. restrs. and SS energy: 3.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1907.459813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.459813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.432331 (E_RNA)
where:
Base-Base interactions energy: -1317.751
where: short stacking energy: -558.866
Base-Backbone interact. energy: 2.038
local terms energy: -594.718768
where:
bonds (distance) C4'-P energy: -107.412
bonds (distance) P-C4' energy: -136.100
flat angles C4'-P-C4' energy: -136.336
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -140.271
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: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1902.680670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.680670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.180076 (E_RNA)
where:
Base-Base interactions energy: -1311.261
where: short stacking energy: -541.930
Base-Backbone interact. energy: 5.039
local terms energy: -599.958635
where:
bonds (distance) C4'-P energy: -116.923
bonds (distance) P-C4' energy: -117.461
flat angles C4'-P-C4' energy: -133.379
flat angles P-C4'-P energy: -89.780
tors. eta vs tors. theta energy: -142.417
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2913.697978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.697978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.275472 (E_RNA)
where:
Base-Base interactions energy: -2008.471
where: short stacking energy: -845.571
Base-Backbone interact. energy: -3.416
local terms energy: -904.388711
where:
bonds (distance) C4'-P energy: -157.759
bonds (distance) P-C4' energy: -172.876
flat angles C4'-P-C4' energy: -186.177
flat angles P-C4'-P energy: -137.400
tors. eta vs tors. theta energy: -250.176
Dist. restrs. and SS energy: 2.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2861.480521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.480521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.858014 (E_RNA)
where:
Base-Base interactions energy: -1994.278
where: short stacking energy: -833.735
Base-Backbone interact. energy: -3.382
local terms energy: -865.198080
where:
bonds (distance) C4'-P energy: -153.631
bonds (distance) P-C4' energy: -163.453
flat angles C4'-P-C4' energy: -190.295
flat angles P-C4'-P energy: -123.224
tors. eta vs tors. theta energy: -234.595
Dist. restrs. and SS energy: 1.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2711.891567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.891567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.031804 (E_RNA)
where:
Base-Base interactions energy: -1870.563
where: short stacking energy: -800.657
Base-Backbone interact. energy: -3.057
local terms energy: -840.412085
where:
bonds (distance) C4'-P energy: -163.869
bonds (distance) P-C4' energy: -154.259
flat angles C4'-P-C4' energy: -174.532
flat angles P-C4'-P energy: -107.535
tors. eta vs tors. theta energy: -240.217
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: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2579.678097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.678097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.916366 (E_RNA)
where:
Base-Base interactions energy: -1780.044
where: short stacking energy: -745.238
Base-Backbone interact. energy: -0.587
local terms energy: -800.285536
where:
bonds (distance) C4'-P energy: -137.123
bonds (distance) P-C4' energy: -160.252
flat angles C4'-P-C4' energy: -174.820
flat angles P-C4'-P energy: -109.758
tors. eta vs tors. theta energy: -218.331
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2436.774048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.774048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.079832 (E_RNA)
where:
Base-Base interactions energy: -1678.794
where: short stacking energy: -716.362
Base-Backbone interact. energy: 7.436
local terms energy: -767.721702
where:
bonds (distance) C4'-P energy: -135.959
bonds (distance) P-C4' energy: -153.814
flat angles C4'-P-C4' energy: -168.133
flat angles P-C4'-P energy: -97.424
tors. eta vs tors. theta energy: -212.392
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2332.098782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.098782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.682703 (E_RNA)
where:
Base-Base interactions energy: -1601.044
where: short stacking energy: -688.109
Base-Backbone interact. energy: -0.245
local terms energy: -732.393022
where:
bonds (distance) C4'-P energy: -142.653
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -135.106
flat angles P-C4'-P energy: -118.634
tors. eta vs tors. theta energy: -200.509
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: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2159.167631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.167631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.692386 (E_RNA)
where:
Base-Base interactions energy: -1463.121
where: short stacking energy: -615.294
Base-Backbone interact. energy: 3.725
local terms energy: -703.296406
where:
bonds (distance) C4'-P energy: -145.554
bonds (distance) P-C4' energy: -141.907
flat angles C4'-P-C4' energy: -160.759
flat angles P-C4'-P energy: -98.710
tors. eta vs tors. theta energy: -156.366
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: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2019.756255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.756255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.792980 (E_RNA)
where:
Base-Base interactions energy: -1366.824
where: short stacking energy: -596.220
Base-Backbone interact. energy: 7.686
local terms energy: -663.655061
where:
bonds (distance) C4'-P energy: -124.762
bonds (distance) P-C4' energy: -144.551
flat angles C4'-P-C4' energy: -144.222
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -172.641
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: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1879.119469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.119469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.427650 (E_RNA)
where:
Base-Base interactions energy: -1278.949
where: short stacking energy: -528.272
Base-Backbone interact. energy: -2.368
local terms energy: -600.110034
where:
bonds (distance) C4'-P energy: -122.570
bonds (distance) P-C4' energy: -138.313
flat angles C4'-P-C4' energy: -133.484
flat angles P-C4'-P energy: -74.083
tors. eta vs tors. theta energy: -131.661
Dist. restrs. and SS energy: 2.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1867.530120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.530120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.886603 (E_RNA)
where:
Base-Base interactions energy: -1293.700
where: short stacking energy: -548.571
Base-Backbone interact. energy: -0.595
local terms energy: -575.591602
where:
bonds (distance) C4'-P energy: -109.610
bonds (distance) P-C4' energy: -115.032
flat angles C4'-P-C4' energy: -140.573
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -136.646
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: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2889.525281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.525281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.778468 (E_RNA)
where:
Base-Base interactions energy: -2007.637
where: short stacking energy: -845.244
Base-Backbone interact. energy: -2.289
local terms energy: -880.852254
where:
bonds (distance) C4'-P energy: -170.186
bonds (distance) P-C4' energy: -166.796
flat angles C4'-P-C4' energy: -185.906
flat angles P-C4'-P energy: -117.388
tors. eta vs tors. theta energy: -240.576
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2848.700506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.700506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.398728 (E_RNA)
where:
Base-Base interactions energy: -1975.312
where: short stacking energy: -815.426
Base-Backbone interact. energy: -4.066
local terms energy: -870.020647
where:
bonds (distance) C4'-P energy: -153.315
bonds (distance) P-C4' energy: -171.327
flat angles C4'-P-C4' energy: -183.693
flat angles P-C4'-P energy: -117.297
tors. eta vs tors. theta energy: -244.389
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: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2685.942211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.942211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.902220 (E_RNA)
where:
Base-Base interactions energy: -1861.067
where: short stacking energy: -785.355
Base-Backbone interact. energy: -3.297
local terms energy: -822.538448
where:
bonds (distance) C4'-P energy: -138.501
bonds (distance) P-C4' energy: -155.010
flat angles C4'-P-C4' energy: -184.437
flat angles P-C4'-P energy: -116.337
tors. eta vs tors. theta energy: -228.254
Dist. restrs. and SS energy: 0.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2584.418307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.418307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.051012 (E_RNA)
where:
Base-Base interactions energy: -1772.119
where: short stacking energy: -736.926
Base-Backbone interact. energy: 1.009
local terms energy: -815.941230
where:
bonds (distance) C4'-P energy: -143.289
bonds (distance) P-C4' energy: -164.418
flat angles C4'-P-C4' energy: -176.361
flat angles P-C4'-P energy: -120.238
tors. eta vs tors. theta energy: -211.636
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: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2444.494396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.494396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.932640 (E_RNA)
where:
Base-Base interactions energy: -1702.509
where: short stacking energy: -701.592
Base-Backbone interact. energy: 3.433
local terms energy: -746.857114
where:
bonds (distance) C4'-P energy: -134.448
bonds (distance) P-C4' energy: -147.122
flat angles C4'-P-C4' energy: -153.270
flat angles P-C4'-P energy: -100.367
tors. eta vs tors. theta energy: -211.650
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: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2251.236114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.236114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.560104 (E_RNA)
where:
Base-Base interactions energy: -1532.543
where: short stacking energy: -651.221
Base-Backbone interact. energy: 0.794
local terms energy: -720.810491
where:
bonds (distance) C4'-P energy: -140.234
bonds (distance) P-C4' energy: -159.637
flat angles C4'-P-C4' energy: -147.990
flat angles P-C4'-P energy: -105.984
tors. eta vs tors. theta energy: -166.965
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2231.379262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.379262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.009110 (E_RNA)
where:
Base-Base interactions energy: -1508.897
where: short stacking energy: -646.198
Base-Backbone interact. energy: 1.691
local terms energy: -725.803040
where:
bonds (distance) C4'-P energy: -116.624
bonds (distance) P-C4' energy: -148.805
flat angles C4'-P-C4' energy: -158.778
flat angles P-C4'-P energy: -117.791
tors. eta vs tors. theta energy: -183.805
Dist. restrs. and SS energy: 1.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1988.664102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.664102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.653976 (E_RNA)
where:
Base-Base interactions energy: -1368.083
where: short stacking energy: -577.616
Base-Backbone interact. energy: 1.242
local terms energy: -623.813068
where:
bonds (distance) C4'-P energy: -137.316
bonds (distance) P-C4' energy: -118.375
flat angles C4'-P-C4' energy: -144.607
flat angles P-C4'-P energy: -80.663
tors. eta vs tors. theta energy: -142.853
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1907.747837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.747837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.898026 (E_RNA)
where:
Base-Base interactions energy: -1293.536
where: short stacking energy: -545.532
Base-Backbone interact. energy: 3.481
local terms energy: -620.843511
where:
bonds (distance) C4'-P energy: -111.168
bonds (distance) P-C4' energy: -144.890
flat angles C4'-P-C4' energy: -147.323
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -134.685
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1945.332910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.332910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.649936 (E_RNA)
where:
Base-Base interactions energy: -1321.943
where: short stacking energy: -561.606
Base-Backbone interact. energy: -1.660
local terms energy: -625.047277
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -121.896
flat angles C4'-P-C4' energy: -150.676
flat angles P-C4'-P energy: -89.914
tors. eta vs tors. theta energy: -128.702
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2895.303664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.303664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.755867 (E_RNA)
where:
Base-Base interactions energy: -2007.136
where: short stacking energy: -831.005
Base-Backbone interact. energy: -6.579
local terms energy: -883.040800
where:
bonds (distance) C4'-P energy: -165.219
bonds (distance) P-C4' energy: -155.889
flat angles C4'-P-C4' energy: -184.174
flat angles P-C4'-P energy: -138.415
tors. eta vs tors. theta energy: -239.345
Dist. restrs. and SS energy: 1.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2836.669871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.669871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.440283 (E_RNA)
where:
Base-Base interactions energy: -1965.012
where: short stacking energy: -823.809
Base-Backbone interact. energy: -2.417
local terms energy: -871.011506
where:
bonds (distance) C4'-P energy: -171.173
bonds (distance) P-C4' energy: -140.367
flat angles C4'-P-C4' energy: -197.078
flat angles P-C4'-P energy: -129.013
tors. eta vs tors. theta energy: -233.381
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2743.352202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.352202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.928240 (E_RNA)
where:
Base-Base interactions energy: -1893.853
where: short stacking energy: -806.501
Base-Backbone interact. energy: -2.686
local terms energy: -848.388783
where:
bonds (distance) C4'-P energy: -145.277
bonds (distance) P-C4' energy: -162.595
flat angles C4'-P-C4' energy: -187.607
flat angles P-C4'-P energy: -122.596
tors. eta vs tors. theta energy: -230.314
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: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2608.637695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.637695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.634394 (E_RNA)
where:
Base-Base interactions energy: -1808.329
where: short stacking energy: -756.022
Base-Backbone interact. energy: -0.633
local terms energy: -801.673230
where:
bonds (distance) C4'-P energy: -147.321
bonds (distance) P-C4' energy: -154.991
flat angles C4'-P-C4' energy: -167.870
flat angles P-C4'-P energy: -123.341
tors. eta vs tors. theta energy: -208.150
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2460.109401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.109401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.126040 (E_RNA)
where:
Base-Base interactions energy: -1660.194
where: short stacking energy: -700.566
Base-Backbone interact. energy: 1.643
local terms energy: -803.575844
where:
bonds (distance) C4'-P energy: -141.056
bonds (distance) P-C4' energy: -152.863
flat angles C4'-P-C4' energy: -180.788
flat angles P-C4'-P energy: -117.916
tors. eta vs tors. theta energy: -210.953
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: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2277.887505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.887505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.654571 (E_RNA)
where:
Base-Base interactions energy: -1542.628
where: short stacking energy: -661.566
Base-Backbone interact. energy: -1.083
local terms energy: -736.943861
where:
bonds (distance) C4'-P energy: -133.790
bonds (distance) P-C4' energy: -152.142
flat angles C4'-P-C4' energy: -173.510
flat angles P-C4'-P energy: -89.793
tors. eta vs tors. theta energy: -187.710
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: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2192.844976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.844976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.644293 (E_RNA)
where:
Base-Base interactions energy: -1489.609
where: short stacking energy: -635.866
Base-Backbone interact. energy: -2.048
local terms energy: -703.987373
where:
bonds (distance) C4'-P energy: -123.656
bonds (distance) P-C4' energy: -140.522
flat angles C4'-P-C4' energy: -163.814
flat angles P-C4'-P energy: -94.569
tors. eta vs tors. theta energy: -181.427
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2001.159529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.159529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.249658 (E_RNA)
where:
Base-Base interactions energy: -1367.401
where: short stacking energy: -556.730
Base-Backbone interact. energy: 3.677
local terms energy: -640.525985
where:
bonds (distance) C4'-P energy: -137.492
bonds (distance) P-C4' energy: -114.599
flat angles C4'-P-C4' energy: -148.091
flat angles P-C4'-P energy: -95.485
tors. eta vs tors. theta energy: -144.860
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -2017.441284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.441284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.264042 (E_RNA)
where:
Base-Base interactions energy: -1347.910
where: short stacking energy: -609.534
Base-Backbone interact. energy: -0.156
local terms energy: -672.197423
where:
bonds (distance) C4'-P energy: -126.435
bonds (distance) P-C4' energy: -122.147
flat angles C4'-P-C4' energy: -142.564
flat angles P-C4'-P energy: -108.678
tors. eta vs tors. theta energy: -172.373
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1903.843837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.843837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.489768 (E_RNA)
where:
Base-Base interactions energy: -1297.559
where: short stacking energy: -542.171
Base-Backbone interact. energy: -1.741
local terms energy: -613.189677
where:
bonds (distance) C4'-P energy: -115.908
bonds (distance) P-C4' energy: -112.319
flat angles C4'-P-C4' energy: -143.505
flat angles P-C4'-P energy: -95.427
tors. eta vs tors. theta energy: -146.031
Dist. restrs. and SS energy: 8.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2902.933574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.933574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.783862 (E_RNA)
where:
Base-Base interactions energy: -2000.940
where: short stacking energy: -817.371
Base-Backbone interact. energy: -3.546
local terms energy: -899.298130
where:
bonds (distance) C4'-P energy: -165.695
bonds (distance) P-C4' energy: -179.828
flat angles C4'-P-C4' energy: -190.451
flat angles P-C4'-P energy: -127.675
tors. eta vs tors. theta energy: -235.649
Dist. restrs. and SS energy: 0.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2822.643908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.643908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.195649 (E_RNA)
where:
Base-Base interactions energy: -1977.094
where: short stacking energy: -820.854
Base-Backbone interact. energy: 4.144
local terms energy: -852.245497
where:
bonds (distance) C4'-P energy: -148.504
bonds (distance) P-C4' energy: -170.181
flat angles C4'-P-C4' energy: -192.540
flat angles P-C4'-P energy: -105.353
tors. eta vs tors. theta energy: -235.667
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2714.128688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.128688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.011444 (E_RNA)
where:
Base-Base interactions energy: -1912.628
where: short stacking energy: -808.064
Base-Backbone interact. energy: -2.707
local terms energy: -799.676707
where:
bonds (distance) C4'-P energy: -146.641
bonds (distance) P-C4' energy: -136.472
flat angles C4'-P-C4' energy: -171.923
flat angles P-C4'-P energy: -111.613
tors. eta vs tors. theta energy: -233.027
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2562.548488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.548488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.146916 (E_RNA)
where:
Base-Base interactions energy: -1771.733
where: short stacking energy: -757.622
Base-Backbone interact. energy: 0.440
local terms energy: -792.853712
where:
bonds (distance) C4'-P energy: -148.003
bonds (distance) P-C4' energy: -162.473
flat angles C4'-P-C4' energy: -162.037
flat angles P-C4'-P energy: -109.071
tors. eta vs tors. theta energy: -211.269
Dist. restrs. and SS energy: 1.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2481.027677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.027677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.075651 (E_RNA)
where:
Base-Base interactions energy: -1680.574
where: short stacking energy: -718.450
Base-Backbone interact. energy: 2.031
local terms energy: -806.532402
where:
bonds (distance) C4'-P energy: -157.475
bonds (distance) P-C4' energy: -145.118
flat angles C4'-P-C4' energy: -174.590
flat angles P-C4'-P energy: -121.027
tors. eta vs tors. theta energy: -208.322
Dist. restrs. and SS energy: 4.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2268.276041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.276041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.960002 (E_RNA)
where:
Base-Base interactions energy: -1578.993
where: short stacking energy: -679.276
Base-Backbone interact. energy: 5.868
local terms energy: -696.835676
where:
bonds (distance) C4'-P energy: -116.640
bonds (distance) P-C4' energy: -132.144
flat angles C4'-P-C4' energy: -157.210
flat angles P-C4'-P energy: -109.463
tors. eta vs tors. theta energy: -181.378
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: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2131.302724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.302724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.755874 (E_RNA)
where:
Base-Base interactions energy: -1443.009
where: short stacking energy: -601.498
Base-Backbone interact. energy: 0.986
local terms energy: -690.732446
where:
bonds (distance) C4'-P energy: -136.234
bonds (distance) P-C4' energy: -132.167
flat angles C4'-P-C4' energy: -151.058
flat angles P-C4'-P energy: -111.207
tors. eta vs tors. theta energy: -160.066
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: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2007.198875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.198875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.342380 (E_RNA)
where:
Base-Base interactions energy: -1364.364
where: short stacking energy: -550.822
Base-Backbone interact. energy: -1.683
local terms energy: -643.295786
where:
bonds (distance) C4'-P energy: -110.672
bonds (distance) P-C4' energy: -144.503
flat angles C4'-P-C4' energy: -146.907
flat angles P-C4'-P energy: -99.792
tors. eta vs tors. theta energy: -141.421
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1959.374221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.374221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.361969 (E_RNA)
where:
Base-Base interactions energy: -1359.645
where: short stacking energy: -566.209
Base-Backbone interact. energy: 4.590
local terms energy: -606.307281
where:
bonds (distance) C4'-P energy: -112.579
bonds (distance) P-C4' energy: -132.775
flat angles C4'-P-C4' energy: -156.686
flat angles P-C4'-P energy: -67.108
tors. eta vs tors. theta energy: -137.159
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: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1855.799307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.799307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.161824 (E_RNA)
where:
Base-Base interactions energy: -1290.396
where: short stacking energy: -545.420
Base-Backbone interact. energy: -0.345
local terms energy: -568.420765
where:
bonds (distance) C4'-P energy: -109.295
bonds (distance) P-C4' energy: -112.753
flat angles C4'-P-C4' energy: -136.931
flat angles P-C4'-P energy: -64.667
tors. eta vs tors. theta energy: -144.774
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: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2883.406007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.406007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.644987 (E_RNA)
where:
Base-Base interactions energy: -1987.476
where: short stacking energy: -823.936
Base-Backbone interact. energy: -7.520
local terms energy: -889.648831
where:
bonds (distance) C4'-P energy: -161.982
bonds (distance) P-C4' energy: -175.690
flat angles C4'-P-C4' energy: -182.433
flat angles P-C4'-P energy: -121.284
tors. eta vs tors. theta energy: -248.260
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2831.927400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.927400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.519811 (E_RNA)
where:
Base-Base interactions energy: -1978.006
where: short stacking energy: -809.228
Base-Backbone interact. energy: 3.671
local terms energy: -861.184655
where:
bonds (distance) C4'-P energy: -147.093
bonds (distance) P-C4' energy: -164.904
flat angles C4'-P-C4' energy: -186.627
flat angles P-C4'-P energy: -132.792
tors. eta vs tors. theta energy: -229.768
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2680.995689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.995689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.365511 (E_RNA)
where:
Base-Base interactions energy: -1848.134
where: short stacking energy: -783.689
Base-Backbone interact. energy: -4.030
local terms energy: -830.201568
where:
bonds (distance) C4'-P energy: -163.217
bonds (distance) P-C4' energy: -132.365
flat angles C4'-P-C4' energy: -175.426
flat angles P-C4'-P energy: -128.008
tors. eta vs tors. theta energy: -231.186
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2528.943509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.943509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.888036 (E_RNA)
where:
Base-Base interactions energy: -1741.079
where: short stacking energy: -740.863
Base-Backbone interact. energy: -0.161
local terms energy: -788.648155
where:
bonds (distance) C4'-P energy: -142.072
bonds (distance) P-C4' energy: -142.383
flat angles C4'-P-C4' energy: -168.385
flat angles P-C4'-P energy: -111.286
tors. eta vs tors. theta energy: -224.522
Dist. restrs. and SS energy: 0.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2455.960206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.960206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.055572 (E_RNA)
where:
Base-Base interactions energy: -1699.387
where: short stacking energy: -713.118
Base-Backbone interact. energy: -2.331
local terms energy: -757.337755
where:
bonds (distance) C4'-P energy: -135.597
bonds (distance) P-C4' energy: -151.943
flat angles C4'-P-C4' energy: -181.015
flat angles P-C4'-P energy: -97.006
tors. eta vs tors. theta energy: -191.778
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: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2273.483120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.483120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.785150 (E_RNA)
where:
Base-Base interactions energy: -1604.355
where: short stacking energy: -656.362
Base-Backbone interact. energy: -1.379
local terms energy: -670.050705
where:
bonds (distance) C4'-P energy: -127.020
bonds (distance) P-C4' energy: -142.413
flat angles C4'-P-C4' energy: -159.890
flat angles P-C4'-P energy: -84.038
tors. eta vs tors. theta energy: -156.690
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: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2171.771837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.771837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.138637 (E_RNA)
where:
Base-Base interactions energy: -1500.687
where: short stacking energy: -615.841
Base-Backbone interact. energy: 11.034
local terms energy: -685.485929
where:
bonds (distance) C4'-P energy: -132.186
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -154.259
flat angles P-C4'-P energy: -108.653
tors. eta vs tors. theta energy: -161.180
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2021.149590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.149590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.659270 (E_RNA)
where:
Base-Base interactions energy: -1367.393
where: short stacking energy: -583.338
Base-Backbone interact. energy: -2.092
local terms energy: -655.174107
where:
bonds (distance) C4'-P energy: -129.100
bonds (distance) P-C4' energy: -143.335
flat angles C4'-P-C4' energy: -147.852
flat angles P-C4'-P energy: -97.473
tors. eta vs tors. theta energy: -137.414
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1949.506336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.506336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.855867 (E_RNA)
where:
Base-Base interactions energy: -1312.750
where: short stacking energy: -552.066
Base-Backbone interact. energy: -1.120
local terms energy: -637.985438
where:
bonds (distance) C4'-P energy: -114.868
bonds (distance) P-C4' energy: -138.462
flat angles C4'-P-C4' energy: -155.442
flat angles P-C4'-P energy: -97.901
tors. eta vs tors. theta energy: -131.313
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1872.621383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.621383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.784874 (E_RNA)
where:
Base-Base interactions energy: -1260.674
where: short stacking energy: -529.149
Base-Backbone interact. energy: 8.605
local terms energy: -622.716062
where:
bonds (distance) C4'-P energy: -118.433
bonds (distance) P-C4' energy: -132.814
flat angles C4'-P-C4' energy: -144.471
flat angles P-C4'-P energy: -91.247
tors. eta vs tors. theta energy: -135.751
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: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2903.256565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.256565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.791476 (E_RNA)
where:
Base-Base interactions energy: -2030.440
where: short stacking energy: -849.158
Base-Backbone interact. energy: -5.650
local terms energy: -868.701676
where:
bonds (distance) C4'-P energy: -164.544
bonds (distance) P-C4' energy: -153.866
flat angles C4'-P-C4' energy: -183.005
flat angles P-C4'-P energy: -128.953
tors. eta vs tors. theta energy: -238.333
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: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2875.135181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.135181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.752799 (E_RNA)
where:
Base-Base interactions energy: -1982.238
where: short stacking energy: -821.828
Base-Backbone interact. energy: -2.837
local terms energy: -892.677607
where:
bonds (distance) C4'-P energy: -173.028
bonds (distance) P-C4' energy: -153.599
flat angles C4'-P-C4' energy: -188.694
flat angles P-C4'-P energy: -132.548
tors. eta vs tors. theta energy: -244.808
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2683.366970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.366970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.226281 (E_RNA)
where:
Base-Base interactions energy: -1870.669
where: short stacking energy: -797.072
Base-Backbone interact. energy: -1.081
local terms energy: -813.476353
where:
bonds (distance) C4'-P energy: -150.963
bonds (distance) P-C4' energy: -154.444
flat angles C4'-P-C4' energy: -172.308
flat angles P-C4'-P energy: -109.261
tors. eta vs tors. theta energy: -226.500
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: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2550.492321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.492321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.522976 (E_RNA)
where:
Base-Base interactions energy: -1724.224
where: short stacking energy: -746.148
Base-Backbone interact. energy: 3.445
local terms energy: -831.744865
where:
bonds (distance) C4'-P energy: -136.741
bonds (distance) P-C4' energy: -161.064
flat angles C4'-P-C4' energy: -178.280
flat angles P-C4'-P energy: -124.125
tors. eta vs tors. theta energy: -231.535
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: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2451.861561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.861561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.891930 (E_RNA)
where:
Base-Base interactions energy: -1696.417
where: short stacking energy: -727.035
Base-Backbone interact. energy: -2.016
local terms energy: -755.458974
where:
bonds (distance) C4'-P energy: -132.628
bonds (distance) P-C4' energy: -147.030
flat angles C4'-P-C4' energy: -175.683
flat angles P-C4'-P energy: -98.349
tors. eta vs tors. theta energy: -201.769
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2311.619911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.619911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.215562 (E_RNA)
where:
Base-Base interactions energy: -1555.949
where: short stacking energy: -683.470
Base-Backbone interact. energy: -1.839
local terms energy: -755.427767
where:
bonds (distance) C4'-P energy: -143.247
bonds (distance) P-C4' energy: -142.874
flat angles C4'-P-C4' energy: -166.073
flat angles P-C4'-P energy: -109.952
tors. eta vs tors. theta energy: -193.281
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: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2146.438045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.438045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.951355 (E_RNA)
where:
Base-Base interactions energy: -1465.203
where: short stacking energy: -622.463
Base-Backbone interact. energy: -3.623
local terms energy: -679.125552
where:
bonds (distance) C4'-P energy: -133.795
bonds (distance) P-C4' energy: -136.618
flat angles C4'-P-C4' energy: -153.229
flat angles P-C4'-P energy: -83.745
tors. eta vs tors. theta energy: -171.739
Dist. restrs. and SS energy: 1.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2054.124070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.124070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.769011 (E_RNA)
where:
Base-Base interactions energy: -1372.588
where: short stacking energy: -578.174
Base-Backbone interact. energy: 2.635
local terms energy: -686.816701
where:
bonds (distance) C4'-P energy: -129.792
bonds (distance) P-C4' energy: -144.104
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -92.002
tors. eta vs tors. theta energy: -156.539
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: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1929.517242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.517242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.643257 (E_RNA)
where:
Base-Base interactions energy: -1305.840
where: short stacking energy: -569.970
Base-Backbone interact. energy: -0.887
local terms energy: -626.916409
where:
bonds (distance) C4'-P energy: -121.834
bonds (distance) P-C4' energy: -117.108
flat angles C4'-P-C4' energy: -130.319
flat angles P-C4'-P energy: -92.076
tors. eta vs tors. theta energy: -165.579
Dist. restrs. and SS energy: 4.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1890.082564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.082564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.403143 (E_RNA)
where:
Base-Base interactions energy: -1285.631
where: short stacking energy: -518.516
Base-Backbone interact. energy: 0.925
local terms energy: -607.697394
where:
bonds (distance) C4'-P energy: -108.558
bonds (distance) P-C4' energy: -142.105
flat angles C4'-P-C4' energy: -135.762
flat angles P-C4'-P energy: -83.424
tors. eta vs tors. theta energy: -137.848
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: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2911.881809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.881809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.440511 (E_RNA)
where:
Base-Base interactions energy: -2031.118
where: short stacking energy: -849.590
Base-Backbone interact. energy: -2.339
local terms energy: -879.982968
where:
bonds (distance) C4'-P energy: -159.750
bonds (distance) P-C4' energy: -162.138
flat angles C4'-P-C4' energy: -196.280
flat angles P-C4'-P energy: -118.323
tors. eta vs tors. theta energy: -243.492
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: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2843.293482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.293482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.455982 (E_RNA)
where:
Base-Base interactions energy: -1972.832
where: short stacking energy: -818.783
Base-Backbone interact. energy: -4.063
local terms energy: -869.560436
where:
bonds (distance) C4'-P energy: -149.632
bonds (distance) P-C4' energy: -168.240
flat angles C4'-P-C4' energy: -196.347
flat angles P-C4'-P energy: -116.896
tors. eta vs tors. theta energy: -238.445
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: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2712.789184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.789184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.764683 (E_RNA)
where:
Base-Base interactions energy: -1894.453
where: short stacking energy: -798.477
Base-Backbone interact. energy: -2.034
local terms energy: -818.276856
where:
bonds (distance) C4'-P energy: -148.026
bonds (distance) P-C4' energy: -134.601
flat angles C4'-P-C4' energy: -183.952
flat angles P-C4'-P energy: -120.375
tors. eta vs tors. theta energy: -231.323
Dist. restrs. and SS energy: 1.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2543.808783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.808783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.118332 (E_RNA)
where:
Base-Base interactions energy: -1744.602
where: short stacking energy: -740.894
Base-Backbone interact. energy: -2.837
local terms energy: -798.679327
where:
bonds (distance) C4'-P energy: -153.596
bonds (distance) P-C4' energy: -144.826
flat angles C4'-P-C4' energy: -166.581
flat angles P-C4'-P energy: -111.978
tors. eta vs tors. theta energy: -221.698
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: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2427.930161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.930161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.413674 (E_RNA)
where:
Base-Base interactions energy: -1678.961
where: short stacking energy: -714.273
Base-Backbone interact. energy: -0.402
local terms energy: -752.051325
where:
bonds (distance) C4'-P energy: -134.594
bonds (distance) P-C4' energy: -149.354
flat angles C4'-P-C4' energy: -152.434
flat angles P-C4'-P energy: -103.037
tors. eta vs tors. theta energy: -212.633
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2274.864371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.864371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.468932 (E_RNA)
where:
Base-Base interactions energy: -1546.453
where: short stacking energy: -673.595
Base-Backbone interact. energy: 1.557
local terms energy: -732.573564
where:
bonds (distance) C4'-P energy: -141.551
bonds (distance) P-C4' energy: -133.649
flat angles C4'-P-C4' energy: -157.118
flat angles P-C4'-P energy: -108.995
tors. eta vs tors. theta energy: -191.260
Dist. restrs. and SS energy: 2.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2170.205318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.205318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.072916 (E_RNA)
where:
Base-Base interactions energy: -1483.645
where: short stacking energy: -608.026
Base-Backbone interact. energy: -0.403
local terms energy: -688.025462
where:
bonds (distance) C4'-P energy: -148.488
bonds (distance) P-C4' energy: -135.727
flat angles C4'-P-C4' energy: -139.365
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -167.859
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: 412
Temperature: 1.250000
Total energy: -2005.629814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.629814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.767854 (E_RNA)
where:
Base-Base interactions energy: -1369.894
where: short stacking energy: -545.133
Base-Backbone interact. energy: -1.320
local terms energy: -640.554078
where:
bonds (distance) C4'-P energy: -136.586
bonds (distance) P-C4' energy: -138.071
flat angles C4'-P-C4' energy: -134.524
flat angles P-C4'-P energy: -84.139
tors. eta vs tors. theta energy: -147.234
Dist. restrs. and SS energy: 6.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1999.862999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.862999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.258819 (E_RNA)
where:
Base-Base interactions energy: -1327.248
where: short stacking energy: -572.286
Base-Backbone interact. energy: 5.424
local terms energy: -680.434862
where:
bonds (distance) C4'-P energy: -127.850
bonds (distance) P-C4' energy: -135.072
flat angles C4'-P-C4' energy: -160.338
flat angles P-C4'-P energy: -102.786
tors. eta vs tors. theta energy: -154.389
Dist. restrs. and SS energy: 2.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1856.920746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.706396 (E_RNA)
where:
Base-Base interactions energy: -1264.099
where: short stacking energy: -531.735
Base-Backbone interact. energy: -0.680
local terms energy: -595.927623
where:
bonds (distance) C4'-P energy: -94.058
bonds (distance) P-C4' energy: -149.939
flat angles C4'-P-C4' energy: -124.779
flat angles P-C4'-P energy: -98.221
tors. eta vs tors. theta energy: -128.931
Dist. restrs. and SS energy: 3.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2914.142856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.142856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.554774 (E_RNA)
where:
Base-Base interactions energy: -2017.030
where: short stacking energy: -821.035
Base-Backbone interact. energy: -4.776
local terms energy: -893.748777
where:
bonds (distance) C4'-P energy: -174.979
bonds (distance) P-C4' energy: -166.440
flat angles C4'-P-C4' energy: -184.364
flat angles P-C4'-P energy: -128.298
tors. eta vs tors. theta energy: -239.668
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2849.742621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.742621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.117626 (E_RNA)
where:
Base-Base interactions energy: -2008.827
where: short stacking energy: -821.688
Base-Backbone interact. energy: 0.441
local terms energy: -844.732355
where:
bonds (distance) C4'-P energy: -148.528
bonds (distance) P-C4' energy: -148.600
flat angles C4'-P-C4' energy: -189.090
flat angles P-C4'-P energy: -119.896
tors. eta vs tors. theta energy: -238.619
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: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2695.734974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.734974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.832648 (E_RNA)
where:
Base-Base interactions energy: -1872.802
where: short stacking energy: -770.703
Base-Backbone interact. energy: -0.470
local terms energy: -825.560559
where:
bonds (distance) C4'-P energy: -148.874
bonds (distance) P-C4' energy: -166.769
flat angles C4'-P-C4' energy: -156.113
flat angles P-C4'-P energy: -124.962
tors. eta vs tors. theta energy: -228.842
Dist. restrs. and SS energy: 3.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2543.480969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.480969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.123494 (E_RNA)
where:
Base-Base interactions energy: -1763.129
where: short stacking energy: -728.590
Base-Backbone interact. energy: 0.679
local terms energy: -782.673892
where:
bonds (distance) C4'-P energy: -136.347
bonds (distance) P-C4' energy: -158.095
flat angles C4'-P-C4' energy: -166.260
flat angles P-C4'-P energy: -114.395
tors. eta vs tors. theta energy: -207.578
Dist. restrs. and SS energy: 1.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2398.863830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.863830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.779684 (E_RNA)
where:
Base-Base interactions energy: -1625.232
where: short stacking energy: -693.498
Base-Backbone interact. energy: -1.126
local terms energy: -774.421640
where:
bonds (distance) C4'-P energy: -140.530
bonds (distance) P-C4' energy: -166.880
flat angles C4'-P-C4' energy: -161.049
flat angles P-C4'-P energy: -111.757
tors. eta vs tors. theta energy: -194.205
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: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2273.155299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.155299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.464695 (E_RNA)
where:
Base-Base interactions energy: -1555.342
where: short stacking energy: -653.667
Base-Backbone interact. energy: 3.182
local terms energy: -723.304935
where:
bonds (distance) C4'-P energy: -141.383
bonds (distance) P-C4' energy: -143.199
flat angles C4'-P-C4' energy: -164.809
flat angles P-C4'-P energy: -96.772
tors. eta vs tors. theta energy: -177.142
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2231.401757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.401757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.033851 (E_RNA)
where:
Base-Base interactions energy: -1493.070
where: short stacking energy: -634.060
Base-Backbone interact. energy: 0.251
local terms energy: -741.215482
where:
bonds (distance) C4'-P energy: -131.600
bonds (distance) P-C4' energy: -147.869
flat angles C4'-P-C4' energy: -156.983
flat angles P-C4'-P energy: -119.250
tors. eta vs tors. theta energy: -185.513
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: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2054.223521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.913532 (E_RNA)
where:
Base-Base interactions energy: -1397.457
where: short stacking energy: -614.831
Base-Backbone interact. energy: 5.478
local terms energy: -664.935165
where:
bonds (distance) C4'-P energy: -150.761
bonds (distance) P-C4' energy: -127.785
flat angles C4'-P-C4' energy: -153.184
flat angles P-C4'-P energy: -88.185
tors. eta vs tors. theta energy: -145.019
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: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1991.099994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.099994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.062497 (E_RNA)
where:
Base-Base interactions energy: -1352.624
where: short stacking energy: -584.318
Base-Backbone interact. energy: -3.084
local terms energy: -637.353582
where:
bonds (distance) C4'-P energy: -101.956
bonds (distance) P-C4' energy: -144.706
flat angles C4'-P-C4' energy: -153.547
flat angles P-C4'-P energy: -89.504
tors. eta vs tors. theta energy: -147.642
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1859.205795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.205795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.740583 (E_RNA)
where:
Base-Base interactions energy: -1262.418
where: short stacking energy: -522.107
Base-Backbone interact. energy: 0.561
local terms energy: -600.882810
where:
bonds (distance) C4'-P energy: -141.497
bonds (distance) P-C4' energy: -126.692
flat angles C4'-P-C4' energy: -134.786
flat angles P-C4'-P energy: -76.461
tors. eta vs tors. theta energy: -121.446
Dist. restrs. and SS energy: 3.535 (S_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: 414
Temperature: 0.900000
Total energy: -2910.012869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.012869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.791566 (E_RNA)
where:
Base-Base interactions energy: -2062.228
where: short stacking energy: -839.391
Base-Backbone interact. energy: -4.510
local terms energy: -845.053528
where:
bonds (distance) C4'-P energy: -158.805
bonds (distance) P-C4' energy: -145.385
flat angles C4'-P-C4' energy: -184.609
flat angles P-C4'-P energy: -119.880
tors. eta vs tors. theta energy: -236.374
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: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2839.822991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.822991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.444482 (E_RNA)
where:
Base-Base interactions energy: -1988.339
where: short stacking energy: -805.859
Base-Backbone interact. energy: 5.451
local terms energy: -860.556733
where:
bonds (distance) C4'-P energy: -162.775
bonds (distance) P-C4' energy: -156.998
flat angles C4'-P-C4' energy: -194.161
flat angles P-C4'-P energy: -116.337
tors. eta vs tors. theta energy: -230.285
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: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2711.383276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.383276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.430509 (E_RNA)
where:
Base-Base interactions energy: -1858.418
where: short stacking energy: -809.101
Base-Backbone interact. energy: -4.012
local terms energy: -850.001195
where:
bonds (distance) C4'-P energy: -160.381
bonds (distance) P-C4' energy: -156.638
flat angles C4'-P-C4' energy: -171.283
flat angles P-C4'-P energy: -121.537
tors. eta vs tors. theta energy: -240.162
Dist. restrs. and SS energy: 1.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2557.206680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.206680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.276878 (E_RNA)
where:
Base-Base interactions energy: -1763.151
where: short stacking energy: -752.717
Base-Backbone interact. energy: 7.761
local terms energy: -803.886832
where:
bonds (distance) C4'-P energy: -141.765
bonds (distance) P-C4' energy: -150.609
flat angles C4'-P-C4' energy: -172.853
flat angles P-C4'-P energy: -112.061
tors. eta vs tors. theta energy: -226.599
Dist. restrs. and SS energy: 2.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2394.351081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.351081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.211346 (E_RNA)
where:
Base-Base interactions energy: -1643.420
where: short stacking energy: -707.389
Base-Backbone interact. energy: 0.098
local terms energy: -752.889407
where:
bonds (distance) C4'-P energy: -139.431
bonds (distance) P-C4' energy: -148.099
flat angles C4'-P-C4' energy: -170.231
flat angles P-C4'-P energy: -95.049
tors. eta vs tors. theta energy: -200.080
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: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2264.243121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.243121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.537453 (E_RNA)
where:
Base-Base interactions energy: -1537.305
where: short stacking energy: -677.030
Base-Backbone interact. energy: -4.481
local terms energy: -724.751863
where:
bonds (distance) C4'-P energy: -130.894
bonds (distance) P-C4' energy: -140.280
flat angles C4'-P-C4' energy: -158.668
flat angles P-C4'-P energy: -105.747
tors. eta vs tors. theta energy: -189.163
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: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2162.896385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.896385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.918100 (E_RNA)
where:
Base-Base interactions energy: -1488.899
where: short stacking energy: -604.751
Base-Backbone interact. energy: 9.576
local terms energy: -686.595748
where:
bonds (distance) C4'-P energy: -138.034
bonds (distance) P-C4' energy: -139.650
flat angles C4'-P-C4' energy: -154.874
flat angles P-C4'-P energy: -92.151
tors. eta vs tors. theta energy: -161.887
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1991.387587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.387587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.640067 (E_RNA)
where:
Base-Base interactions energy: -1327.191
where: short stacking energy: -549.023
Base-Backbone interact. energy: 6.460
local terms energy: -672.908989
where:
bonds (distance) C4'-P energy: -134.450
bonds (distance) P-C4' energy: -151.081
flat angles C4'-P-C4' energy: -147.465
flat angles P-C4'-P energy: -97.949
tors. eta vs tors. theta energy: -141.964
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: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1970.924715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.924715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.299677 (E_RNA)
where:
Base-Base interactions energy: -1334.245
where: short stacking energy: -576.373
Base-Backbone interact. energy: -0.139
local terms energy: -639.915749
where:
bonds (distance) C4'-P energy: -114.806
bonds (distance) P-C4' energy: -142.405
flat angles C4'-P-C4' energy: -149.194
flat angles P-C4'-P energy: -78.325
tors. eta vs tors. theta energy: -155.186
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: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1887.967889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.967889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.885259 (E_RNA)
where:
Base-Base interactions energy: -1271.882
where: short stacking energy: -517.716
Base-Backbone interact. energy: -1.411
local terms energy: -621.592147
where:
bonds (distance) C4'-P energy: -127.592
bonds (distance) P-C4' energy: -127.979
flat angles C4'-P-C4' energy: -136.343
flat angles P-C4'-P energy: -103.646
tors. eta vs tors. theta energy: -126.032
Dist. restrs. and SS energy: 6.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2929.633513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.633513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.870781 (E_RNA)
where:
Base-Base interactions energy: -2052.481
where: short stacking energy: -836.863
Base-Backbone interact. energy: -5.247
local terms energy: -874.142477
where:
bonds (distance) C4'-P energy: -159.035
bonds (distance) P-C4' energy: -171.277
flat angles C4'-P-C4' energy: -186.917
flat angles P-C4'-P energy: -125.150
tors. eta vs tors. theta energy: -231.765
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2866.758277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.758277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.592422 (E_RNA)
where:
Base-Base interactions energy: -2016.480
where: short stacking energy: -847.141
Base-Backbone interact. energy: 4.138
local terms energy: -857.250189
where:
bonds (distance) C4'-P energy: -136.458
bonds (distance) P-C4' energy: -151.453
flat angles C4'-P-C4' energy: -191.214
flat angles P-C4'-P energy: -121.795
tors. eta vs tors. theta energy: -256.330
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: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2732.106616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.106616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.194127 (E_RNA)
where:
Base-Base interactions energy: -1889.760
where: short stacking energy: -805.837
Base-Backbone interact. energy: -2.237
local terms energy: -841.197035
where:
bonds (distance) C4'-P energy: -149.568
bonds (distance) P-C4' energy: -149.474
flat angles C4'-P-C4' energy: -178.958
flat angles P-C4'-P energy: -119.817
tors. eta vs tors. theta energy: -243.381
Dist. restrs. and SS energy: 1.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2554.862059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.862059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.966237 (E_RNA)
where:
Base-Base interactions energy: -1746.054
where: short stacking energy: -761.125
Base-Backbone interact. energy: -0.408
local terms energy: -809.504333
where:
bonds (distance) C4'-P energy: -149.334
bonds (distance) P-C4' energy: -141.837
flat angles C4'-P-C4' energy: -182.099
flat angles P-C4'-P energy: -108.286
tors. eta vs tors. theta energy: -227.948
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: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2411.115096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.115096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.629145 (E_RNA)
where:
Base-Base interactions energy: -1649.909
where: short stacking energy: -722.545
Base-Backbone interact. energy: -1.097
local terms energy: -762.622817
where:
bonds (distance) C4'-P energy: -136.051
bonds (distance) P-C4' energy: -160.533
flat angles C4'-P-C4' energy: -168.716
flat angles P-C4'-P energy: -104.761
tors. eta vs tors. theta energy: -192.561
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: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2238.932229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.932229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.817004 (E_RNA)
where:
Base-Base interactions energy: -1467.353
where: short stacking energy: -632.030
Base-Backbone interact. energy: -3.478
local terms energy: -771.985882
where:
bonds (distance) C4'-P energy: -147.672
bonds (distance) P-C4' energy: -150.386
flat angles C4'-P-C4' energy: -180.593
flat angles P-C4'-P energy: -112.526
tors. eta vs tors. theta energy: -180.808
Dist. restrs. and SS energy: 3.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2162.804419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.804419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.586706 (E_RNA)
where:
Base-Base interactions energy: -1495.001
where: short stacking energy: -642.054
Base-Backbone interact. energy: 2.336
local terms energy: -673.922500
where:
bonds (distance) C4'-P energy: -121.479
bonds (distance) P-C4' energy: -129.247
flat angles C4'-P-C4' energy: -147.739
flat angles P-C4'-P energy: -104.236
tors. eta vs tors. theta energy: -171.222
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: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2057.253513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.253513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.446156 (E_RNA)
where:
Base-Base interactions energy: -1382.405
where: short stacking energy: -597.004
Base-Backbone interact. energy: -1.003
local terms energy: -677.037947
where:
bonds (distance) C4'-P energy: -126.674
bonds (distance) P-C4' energy: -139.896
flat angles C4'-P-C4' energy: -145.494
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -169.889
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1922.486655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.486655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.789352 (E_RNA)
where:
Base-Base interactions energy: -1317.002
where: short stacking energy: -541.332
Base-Backbone interact. energy: 6.617
local terms energy: -614.404940
where:
bonds (distance) C4'-P energy: -130.574
bonds (distance) P-C4' energy: -122.189
flat angles C4'-P-C4' energy: -144.835
flat angles P-C4'-P energy: -75.253
tors. eta vs tors. theta energy: -141.555
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1890.085753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.085753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.307204 (E_RNA)
where:
Base-Base interactions energy: -1321.149
where: short stacking energy: -549.214
Base-Backbone interact. energy: -1.372
local terms energy: -572.786601
where:
bonds (distance) C4'-P energy: -125.041
bonds (distance) P-C4' energy: -118.826
flat angles C4'-P-C4' energy: -122.120
flat angles P-C4'-P energy: -82.490
tors. eta vs tors. theta energy: -124.310
Dist. restrs. and SS energy: 5.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2937.087029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.087029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.068554 (E_RNA)
where:
Base-Base interactions energy: -2061.500
where: short stacking energy: -846.858
Base-Backbone interact. energy: -4.779
local terms energy: -873.789515
where:
bonds (distance) C4'-P energy: -158.721
bonds (distance) P-C4' energy: -167.137
flat angles C4'-P-C4' energy: -187.249
flat angles P-C4'-P energy: -113.097
tors. eta vs tors. theta energy: -247.587
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2853.406256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.406256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.956163 (E_RNA)
where:
Base-Base interactions energy: -2008.243
where: short stacking energy: -825.247
Base-Backbone interact. energy: 4.057
local terms energy: -851.770283
where:
bonds (distance) C4'-P energy: -159.490
bonds (distance) P-C4' energy: -151.431
flat angles C4'-P-C4' energy: -173.350
flat angles P-C4'-P energy: -130.107
tors. eta vs tors. theta energy: -237.393
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2661.669026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.669026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.937019 (E_RNA)
where:
Base-Base interactions energy: -1875.484
where: short stacking energy: -788.038
Base-Backbone interact. energy: 4.371
local terms energy: -791.824248
where:
bonds (distance) C4'-P energy: -157.998
bonds (distance) P-C4' energy: -137.514
flat angles C4'-P-C4' energy: -158.061
flat angles P-C4'-P energy: -107.594
tors. eta vs tors. theta energy: -230.658
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2563.887672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.887672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.275896 (E_RNA)
where:
Base-Base interactions energy: -1747.355
where: short stacking energy: -734.544
Base-Backbone interact. energy: -1.624
local terms energy: -816.297030
where:
bonds (distance) C4'-P energy: -152.493
bonds (distance) P-C4' energy: -171.408
flat angles C4'-P-C4' energy: -157.240
flat angles P-C4'-P energy: -120.906
tors. eta vs tors. theta energy: -214.249
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2448.854137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.854137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.493116 (E_RNA)
where:
Base-Base interactions energy: -1682.303
where: short stacking energy: -727.276
Base-Backbone interact. energy: 2.707
local terms energy: -770.896947
where:
bonds (distance) C4'-P energy: -139.557
bonds (distance) P-C4' energy: -147.256
flat angles C4'-P-C4' energy: -172.184
flat angles P-C4'-P energy: -113.599
tors. eta vs tors. theta energy: -198.301
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2260.598778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.598778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.052939 (E_RNA)
where:
Base-Base interactions energy: -1551.915
where: short stacking energy: -656.440
Base-Backbone interact. energy: -0.425
local terms energy: -709.712988
where:
bonds (distance) C4'-P energy: -107.434
bonds (distance) P-C4' energy: -142.924
flat angles C4'-P-C4' energy: -169.308
flat angles P-C4'-P energy: -103.117
tors. eta vs tors. theta energy: -186.930
Dist. restrs. and SS energy: 1.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2160.206041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.206041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.527559 (E_RNA)
where:
Base-Base interactions energy: -1496.215
where: short stacking energy: -640.654
Base-Backbone interact. energy: 5.325
local terms energy: -671.637221
where:
bonds (distance) C4'-P energy: -146.652
bonds (distance) P-C4' energy: -134.665
flat angles C4'-P-C4' energy: -146.275
flat angles P-C4'-P energy: -91.140
tors. eta vs tors. theta energy: -152.906
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -2034.785844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.785844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.350511 (E_RNA)
where:
Base-Base interactions energy: -1386.103
where: short stacking energy: -585.953
Base-Backbone interact. energy: -2.402
local terms energy: -647.844724
where:
bonds (distance) C4'-P energy: -112.387
bonds (distance) P-C4' energy: -134.519
flat angles C4'-P-C4' energy: -138.308
flat angles P-C4'-P energy: -106.097
tors. eta vs tors. theta energy: -156.533
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: 416
Temperature: 1.300000
Total energy: -1922.068126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.068126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.759481 (E_RNA)
where:
Base-Base interactions energy: -1287.384
where: short stacking energy: -540.865
Base-Backbone interact. energy: 3.768
local terms energy: -643.143442
where:
bonds (distance) C4'-P energy: -121.578
bonds (distance) P-C4' energy: -144.630
flat angles C4'-P-C4' energy: -150.392
flat angles P-C4'-P energy: -87.652
tors. eta vs tors. theta energy: -138.891
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1876.978345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.978345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.242790 (E_RNA)
where:
Base-Base interactions energy: -1269.711
where: short stacking energy: -524.928
Base-Backbone interact. energy: 10.515
local terms energy: -622.046217
where:
bonds (distance) C4'-P energy: -127.956
bonds (distance) P-C4' energy: -118.738
flat angles C4'-P-C4' energy: -154.087
flat angles P-C4'-P energy: -97.336
tors. eta vs tors. theta energy: -123.930
Dist. restrs. and SS energy: 4.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2942.177830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.177830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.322713 (E_RNA)
where:
Base-Base interactions energy: -2035.127
where: short stacking energy: -821.234
Base-Backbone interact. energy: -6.599
local terms energy: -903.596596
where:
bonds (distance) C4'-P energy: -179.446
bonds (distance) P-C4' energy: -174.066
flat angles C4'-P-C4' energy: -174.477
flat angles P-C4'-P energy: -127.203
tors. eta vs tors. theta energy: -248.404
Dist. restrs. and SS energy: 3.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2814.299988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.299988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.654522 (E_RNA)
where:
Base-Base interactions energy: -1945.698
where: short stacking energy: -819.029
Base-Backbone interact. energy: 2.975
local terms energy: -874.931409
where:
bonds (distance) C4'-P energy: -165.943
bonds (distance) P-C4' energy: -153.487
flat angles C4'-P-C4' energy: -182.906
flat angles P-C4'-P energy: -127.844
tors. eta vs tors. theta energy: -244.751
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2671.188487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.188487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.600603 (E_RNA)
where:
Base-Base interactions energy: -1823.264
where: short stacking energy: -747.874
Base-Backbone interact. energy: -3.540
local terms energy: -847.795868
where:
bonds (distance) C4'-P energy: -155.918
bonds (distance) P-C4' energy: -169.019
flat angles C4'-P-C4' energy: -174.287
flat angles P-C4'-P energy: -118.953
tors. eta vs tors. theta energy: -229.619
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2525.386531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.386531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.635981 (E_RNA)
where:
Base-Base interactions energy: -1724.349
where: short stacking energy: -740.082
Base-Backbone interact. energy: 5.433
local terms energy: -808.719527
where:
bonds (distance) C4'-P energy: -164.197
bonds (distance) P-C4' energy: -157.244
flat angles C4'-P-C4' energy: -164.391
flat angles P-C4'-P energy: -104.754
tors. eta vs tors. theta energy: -218.134
Dist. restrs. and SS energy: 2.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2489.322193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.322193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.288539 (E_RNA)
where:
Base-Base interactions energy: -1723.817
where: short stacking energy: -743.651
Base-Backbone interact. energy: 2.132
local terms energy: -769.603044
where:
bonds (distance) C4'-P energy: -142.697
bonds (distance) P-C4' energy: -137.410
flat angles C4'-P-C4' energy: -165.449
flat angles P-C4'-P energy: -117.610
tors. eta vs tors. theta energy: -206.438
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2256.154706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.154706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.267903 (E_RNA)
where:
Base-Base interactions energy: -1553.285
where: short stacking energy: -647.503
Base-Backbone interact. energy: 0.629
local terms energy: -705.611858
where:
bonds (distance) C4'-P energy: -143.078
bonds (distance) P-C4' energy: -131.254
flat angles C4'-P-C4' energy: -143.601
flat angles P-C4'-P energy: -106.538
tors. eta vs tors. theta energy: -181.140
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: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2167.274761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.274761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.925009 (E_RNA)
where:
Base-Base interactions energy: -1465.746
where: short stacking energy: -603.469
Base-Backbone interact. energy: 3.015
local terms energy: -707.193998
where:
bonds (distance) C4'-P energy: -144.031
bonds (distance) P-C4' energy: -121.998
flat angles C4'-P-C4' energy: -169.673
flat angles P-C4'-P energy: -102.172
tors. eta vs tors. theta energy: -169.320
Dist. restrs. and SS energy: 2.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -2066.349780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.349780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.863123 (E_RNA)
where:
Base-Base interactions energy: -1391.009
where: short stacking energy: -597.076
Base-Backbone interact. energy: 0.818
local terms energy: -678.671746
where:
bonds (distance) C4'-P energy: -125.464
bonds (distance) P-C4' energy: -128.638
flat angles C4'-P-C4' energy: -148.589
flat angles P-C4'-P energy: -103.728
tors. eta vs tors. theta energy: -172.253
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: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1855.601812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.601812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.547314 (E_RNA)
where:
Base-Base interactions energy: -1246.147
where: short stacking energy: -517.855
Base-Backbone interact. energy: 0.178
local terms energy: -615.578520
where:
bonds (distance) C4'-P energy: -123.144
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -140.864
flat angles P-C4'-P energy: -87.500
tors. eta vs tors. theta energy: -122.910
Dist. restrs. and SS energy: 5.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1886.772735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.772735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.897931 (E_RNA)
where:
Base-Base interactions energy: -1267.441
where: short stacking energy: -523.946
Base-Backbone interact. energy: -0.790
local terms energy: -621.666567
where:
bonds (distance) C4'-P energy: -134.905
bonds (distance) P-C4' energy: -145.062
flat angles C4'-P-C4' energy: -135.044
flat angles P-C4'-P energy: -71.202
tors. eta vs tors. theta energy: -135.454
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: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2946.680201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.680201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.471419 (E_RNA)
where:
Base-Base interactions energy: -2067.377
where: short stacking energy: -842.023
Base-Backbone interact. energy: -4.129
local terms energy: -876.965447
where:
bonds (distance) C4'-P energy: -157.599
bonds (distance) P-C4' energy: -152.196
flat angles C4'-P-C4' energy: -189.718
flat angles P-C4'-P energy: -132.736
tors. eta vs tors. theta energy: -244.715
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2880.850031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.850031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.044702 (E_RNA)
where:
Base-Base interactions energy: -2001.633
where: short stacking energy: -825.440
Base-Backbone interact. energy: 4.726
local terms energy: -886.137564
where:
bonds (distance) C4'-P energy: -168.805
bonds (distance) P-C4' energy: -153.737
flat angles C4'-P-C4' energy: -186.157
flat angles P-C4'-P energy: -129.677
tors. eta vs tors. theta energy: -247.762
Dist. restrs. and SS energy: 2.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2692.543934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.543934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.954407 (E_RNA)
where:
Base-Base interactions energy: -1884.192
where: short stacking energy: -791.324
Base-Backbone interact. energy: 11.910
local terms energy: -821.672600
where:
bonds (distance) C4'-P energy: -151.152
bonds (distance) P-C4' energy: -146.782
flat angles C4'-P-C4' energy: -168.195
flat angles P-C4'-P energy: -118.787
tors. eta vs tors. theta energy: -236.757
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: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2538.363363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.363363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.043906 (E_RNA)
where:
Base-Base interactions energy: -1738.733
where: short stacking energy: -756.600
Base-Backbone interact. energy: 0.456
local terms energy: -802.767093
where:
bonds (distance) C4'-P energy: -156.229
bonds (distance) P-C4' energy: -139.844
flat angles C4'-P-C4' energy: -170.896
flat angles P-C4'-P energy: -119.497
tors. eta vs tors. theta energy: -216.301
Dist. restrs. and SS energy: 2.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2445.740696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.740696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.675478 (E_RNA)
where:
Base-Base interactions energy: -1674.758
where: short stacking energy: -705.710
Base-Backbone interact. energy: -2.171
local terms energy: -771.746934
where:
bonds (distance) C4'-P energy: -137.613
bonds (distance) P-C4' energy: -157.196
flat angles C4'-P-C4' energy: -160.162
flat angles P-C4'-P energy: -122.147
tors. eta vs tors. theta energy: -194.629
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2260.621240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.621240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.763528 (E_RNA)
where:
Base-Base interactions energy: -1569.126
where: short stacking energy: -664.326
Base-Backbone interact. energy: 0.159
local terms energy: -693.796646
where:
bonds (distance) C4'-P energy: -107.851
bonds (distance) P-C4' energy: -141.972
flat angles C4'-P-C4' energy: -154.857
flat angles P-C4'-P energy: -111.162
tors. eta vs tors. theta energy: -177.954
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2199.883057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.883057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.001186 (E_RNA)
where:
Base-Base interactions energy: -1475.350
where: short stacking energy: -630.524
Base-Backbone interact. energy: -2.120
local terms energy: -723.531105
where:
bonds (distance) C4'-P energy: -138.511
bonds (distance) P-C4' energy: -138.286
flat angles C4'-P-C4' energy: -165.047
flat angles P-C4'-P energy: -104.274
tors. eta vs tors. theta energy: -177.413
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: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2023.320952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.320952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.888475 (E_RNA)
where:
Base-Base interactions energy: -1355.782
where: short stacking energy: -559.102
Base-Backbone interact. energy: -3.757
local terms energy: -667.348565
where:
bonds (distance) C4'-P energy: -137.612
bonds (distance) P-C4' energy: -143.950
flat angles C4'-P-C4' energy: -145.115
flat angles P-C4'-P energy: -96.046
tors. eta vs tors. theta energy: -144.626
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: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1918.182262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.331665 (E_RNA)
where:
Base-Base interactions energy: -1340.120
where: short stacking energy: -582.378
Base-Backbone interact. energy: 6.605
local terms energy: -586.816732
where:
bonds (distance) C4'-P energy: -130.072
bonds (distance) P-C4' energy: -121.861
flat angles C4'-P-C4' energy: -126.759
flat angles P-C4'-P energy: -65.738
tors. eta vs tors. theta energy: -142.386
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: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1863.209426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.209426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.357107 (E_RNA)
where:
Base-Base interactions energy: -1261.385
where: short stacking energy: -515.096
Base-Backbone interact. energy: 3.693
local terms energy: -607.665512
where:
bonds (distance) C4'-P energy: -131.686
bonds (distance) P-C4' energy: -127.386
flat angles C4'-P-C4' energy: -135.599
flat angles P-C4'-P energy: -85.006
tors. eta vs tors. theta energy: -127.990
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: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2977.585616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.585616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.149653 (E_RNA)
where:
Base-Base interactions energy: -2106.090
where: short stacking energy: -873.286
Base-Backbone interact. energy: -2.059
local terms energy: -872.000843
where:
bonds (distance) C4'-P energy: -156.171
bonds (distance) P-C4' energy: -161.348
flat angles C4'-P-C4' energy: -188.839
flat angles P-C4'-P energy: -117.492
tors. eta vs tors. theta energy: -248.151
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: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2868.860857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.860857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.370472 (E_RNA)
where:
Base-Base interactions energy: -1969.879
where: short stacking energy: -823.397
Base-Backbone interact. energy: 5.796
local terms energy: -907.287797
where:
bonds (distance) C4'-P energy: -153.369
bonds (distance) P-C4' energy: -182.672
flat angles C4'-P-C4' energy: -200.779
flat angles P-C4'-P energy: -120.108
tors. eta vs tors. theta energy: -250.360
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2723.360957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.360957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.360067 (E_RNA)
where:
Base-Base interactions energy: -1899.721
where: short stacking energy: -807.548
Base-Backbone interact. energy: -1.201
local terms energy: -825.438926
where:
bonds (distance) C4'-P energy: -153.287
bonds (distance) P-C4' energy: -141.618
flat angles C4'-P-C4' energy: -170.408
flat angles P-C4'-P energy: -114.085
tors. eta vs tors. theta energy: -246.041
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2565.898168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.898168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.062904 (E_RNA)
where:
Base-Base interactions energy: -1758.980
where: short stacking energy: -743.646
Base-Backbone interact. energy: -3.970
local terms energy: -806.113125
where:
bonds (distance) C4'-P energy: -153.925
bonds (distance) P-C4' energy: -145.715
flat angles C4'-P-C4' energy: -180.642
flat angles P-C4'-P energy: -112.959
tors. eta vs tors. theta energy: -212.872
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2411.859368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.859368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.046810 (E_RNA)
where:
Base-Base interactions energy: -1647.391
where: short stacking energy: -701.020
Base-Backbone interact. energy: 0.608
local terms energy: -767.263170
where:
bonds (distance) C4'-P energy: -136.247
bonds (distance) P-C4' energy: -153.486
flat angles C4'-P-C4' energy: -172.438
flat angles P-C4'-P energy: -104.542
tors. eta vs tors. theta energy: -200.549
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: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2252.830125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.830125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.405061 (E_RNA)
where:
Base-Base interactions energy: -1505.234
where: short stacking energy: -646.577
Base-Backbone interact. energy: -3.006
local terms energy: -746.165120
where:
bonds (distance) C4'-P energy: -152.924
bonds (distance) P-C4' energy: -141.009
flat angles C4'-P-C4' energy: -167.775
flat angles P-C4'-P energy: -93.746
tors. eta vs tors. theta energy: -190.712
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: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2207.696711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.696711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.198864 (E_RNA)
where:
Base-Base interactions energy: -1486.323
where: short stacking energy: -615.072
Base-Backbone interact. energy: -4.216
local terms energy: -719.660281
where:
bonds (distance) C4'-P energy: -141.379
bonds (distance) P-C4' energy: -153.698
flat angles C4'-P-C4' energy: -157.143
flat angles P-C4'-P energy: -93.148
tors. eta vs tors. theta energy: -174.292
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: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2033.397748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.397748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.760406 (E_RNA)
where:
Base-Base interactions energy: -1354.096
where: short stacking energy: -569.692
Base-Backbone interact. energy: 0.458
local terms energy: -682.121985
where:
bonds (distance) C4'-P energy: -129.409
bonds (distance) P-C4' energy: -152.988
flat angles C4'-P-C4' energy: -146.388
flat angles P-C4'-P energy: -97.491
tors. eta vs tors. theta energy: -155.847
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: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1977.497164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.497164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.824309 (E_RNA)
where:
Base-Base interactions energy: -1342.941
where: short stacking energy: -557.012
Base-Backbone interact. energy: 0.669
local terms energy: -637.552882
where:
bonds (distance) C4'-P energy: -103.011
bonds (distance) P-C4' energy: -144.496
flat angles C4'-P-C4' energy: -161.101
flat angles P-C4'-P energy: -103.460
tors. eta vs tors. theta energy: -125.485
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1827.130412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.130412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.357454 (E_RNA)
where:
Base-Base interactions energy: -1239.054
where: short stacking energy: -488.441
Base-Backbone interact. energy: -0.476
local terms energy: -590.827811
where:
bonds (distance) C4'-P energy: -129.950
bonds (distance) P-C4' energy: -124.179
flat angles C4'-P-C4' energy: -133.390
flat angles P-C4'-P energy: -93.559
tors. eta vs tors. theta energy: -109.749
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2914.611246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.611246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.272260 (E_RNA)
where:
Base-Base interactions energy: -2026.593
where: short stacking energy: -847.549
Base-Backbone interact. energy: -0.275
local terms energy: -889.404194
where:
bonds (distance) C4'-P energy: -159.615
bonds (distance) P-C4' energy: -157.691
flat angles C4'-P-C4' energy: -191.748
flat angles P-C4'-P energy: -129.625
tors. eta vs tors. theta energy: -250.725
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: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2892.659280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.659280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.385256 (E_RNA)
where:
Base-Base interactions energy: -2051.622
where: short stacking energy: -821.753
Base-Backbone interact. energy: 1.981
local terms energy: -844.744609
where:
bonds (distance) C4'-P energy: -140.561
bonds (distance) P-C4' energy: -168.728
flat angles C4'-P-C4' energy: -170.031
flat angles P-C4'-P energy: -119.992
tors. eta vs tors. theta energy: -245.433
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2680.465001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.465001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.109294 (E_RNA)
where:
Base-Base interactions energy: -1815.151
where: short stacking energy: -771.635
Base-Backbone interact. energy: 3.475
local terms energy: -870.433286
where:
bonds (distance) C4'-P energy: -168.679
bonds (distance) P-C4' energy: -169.624
flat angles C4'-P-C4' energy: -185.560
flat angles P-C4'-P energy: -117.588
tors. eta vs tors. theta energy: -228.982
Dist. restrs. and SS energy: 1.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2598.728154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.728154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.324042 (E_RNA)
where:
Base-Base interactions energy: -1782.204
where: short stacking energy: -747.339
Base-Backbone interact. energy: -0.382
local terms energy: -818.738099
where:
bonds (distance) C4'-P energy: -138.149
bonds (distance) P-C4' energy: -159.308
flat angles C4'-P-C4' energy: -166.472
flat angles P-C4'-P energy: -126.961
tors. eta vs tors. theta energy: -227.847
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: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2419.723731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.723731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.839605 (E_RNA)
where:
Base-Base interactions energy: -1685.089
where: short stacking energy: -697.709
Base-Backbone interact. energy: -3.068
local terms energy: -734.683241
where:
bonds (distance) C4'-P energy: -133.667
bonds (distance) P-C4' energy: -150.365
flat angles C4'-P-C4' energy: -148.175
flat angles P-C4'-P energy: -99.751
tors. eta vs tors. theta energy: -202.724
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: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2285.407972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.407972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.922485 (E_RNA)
where:
Base-Base interactions energy: -1576.479
where: short stacking energy: -669.043
Base-Backbone interact. energy: -0.257
local terms energy: -710.186194
where:
bonds (distance) C4'-P energy: -124.268
bonds (distance) P-C4' energy: -134.592
flat angles C4'-P-C4' energy: -156.672
flat angles P-C4'-P energy: -101.892
tors. eta vs tors. theta energy: -192.762
Dist. restrs. and SS energy: 1.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2233.599262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.599262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.734043 (E_RNA)
where:
Base-Base interactions energy: -1543.851
where: short stacking energy: -651.582
Base-Backbone interact. energy: 4.526
local terms energy: -697.409583
where:
bonds (distance) C4'-P energy: -144.442
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -149.527
flat angles P-C4'-P energy: -102.512
tors. eta vs tors. theta energy: -177.607
Dist. restrs. and SS energy: 3.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2031.919892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.919892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.502802 (E_RNA)
where:
Base-Base interactions energy: -1362.961
where: short stacking energy: -588.763
Base-Backbone interact. energy: -2.043
local terms energy: -669.499420
where:
bonds (distance) C4'-P energy: -128.365
bonds (distance) P-C4' energy: -128.824
flat angles C4'-P-C4' energy: -154.103
flat angles P-C4'-P energy: -110.224
tors. eta vs tors. theta energy: -147.984
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: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1918.944211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.944211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.981396 (E_RNA)
where:
Base-Base interactions energy: -1319.994
where: short stacking energy: -565.776
Base-Backbone interact. energy: -2.071
local terms energy: -598.917102
where:
bonds (distance) C4'-P energy: -107.522
bonds (distance) P-C4' energy: -107.802
flat angles C4'-P-C4' energy: -134.938
flat angles P-C4'-P energy: -98.121
tors. eta vs tors. theta energy: -150.535
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: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1812.827188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.827188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.985538 (E_RNA)
where:
Base-Base interactions energy: -1260.150
where: short stacking energy: -534.724
Base-Backbone interact. energy: -2.643
local terms energy: -555.193133
where:
bonds (distance) C4'-P energy: -119.024
bonds (distance) P-C4' energy: -103.244
flat angles C4'-P-C4' energy: -123.147
flat angles P-C4'-P energy: -72.001
tors. eta vs tors. theta energy: -137.776
Dist. restrs. and SS energy: 5.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2947.134293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.134293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.168525 (E_RNA)
where:
Base-Base interactions energy: -2037.457
where: short stacking energy: -876.630
Base-Backbone interact. energy: -1.906
local terms energy: -909.806092
where:
bonds (distance) C4'-P energy: -157.236
bonds (distance) P-C4' energy: -163.526
flat angles C4'-P-C4' energy: -191.925
flat angles P-C4'-P energy: -130.217
tors. eta vs tors. theta energy: -266.902
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: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2910.194169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.194169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.009270 (E_RNA)
where:
Base-Base interactions energy: -2026.679
where: short stacking energy: -854.472
Base-Backbone interact. energy: -5.934
local terms energy: -879.396348
where:
bonds (distance) C4'-P energy: -164.138
bonds (distance) P-C4' energy: -164.407
flat angles C4'-P-C4' energy: -189.057
flat angles P-C4'-P energy: -118.035
tors. eta vs tors. theta energy: -243.759
Dist. restrs. and SS energy: 1.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2683.079529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.079529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.323909 (E_RNA)
where:
Base-Base interactions energy: -1859.588
where: short stacking energy: -767.869
Base-Backbone interact. energy: 3.215
local terms energy: -827.951311
where:
bonds (distance) C4'-P energy: -153.029
bonds (distance) P-C4' energy: -163.371
flat angles C4'-P-C4' energy: -166.637
flat angles P-C4'-P energy: -109.535
tors. eta vs tors. theta energy: -235.380
Dist. restrs. and SS energy: 1.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2598.829607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.829607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.465976 (E_RNA)
where:
Base-Base interactions energy: -1791.287
where: short stacking energy: -726.528
Base-Backbone interact. energy: 0.016
local terms energy: -809.194277
where:
bonds (distance) C4'-P energy: -153.913
bonds (distance) P-C4' energy: -153.239
flat angles C4'-P-C4' energy: -171.740
flat angles P-C4'-P energy: -108.728
tors. eta vs tors. theta energy: -221.574
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: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2405.471708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.471708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.242179 (E_RNA)
where:
Base-Base interactions energy: -1645.732
where: short stacking energy: -696.715
Base-Backbone interact. energy: -2.010
local terms energy: -759.500695
where:
bonds (distance) C4'-P energy: -119.134
bonds (distance) P-C4' energy: -154.183
flat angles C4'-P-C4' energy: -170.829
flat angles P-C4'-P energy: -119.455
tors. eta vs tors. theta energy: -195.899
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2244.639812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.639812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.089041 (E_RNA)
where:
Base-Base interactions energy: -1522.438
where: short stacking energy: -651.613
Base-Backbone interact. energy: -1.350
local terms energy: -723.300622
where:
bonds (distance) C4'-P energy: -132.598
bonds (distance) P-C4' energy: -135.308
flat angles C4'-P-C4' energy: -169.504
flat angles P-C4'-P energy: -95.449
tors. eta vs tors. theta energy: -190.442
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2268.523959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.523959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.195578 (E_RNA)
where:
Base-Base interactions energy: -1558.032
where: short stacking energy: -661.032
Base-Backbone interact. energy: -3.507
local terms energy: -709.655754
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -162.083
flat angles P-C4'-P energy: -101.515
tors. eta vs tors. theta energy: -190.943
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: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2017.438613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.438613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.337559 (E_RNA)
where:
Base-Base interactions energy: -1370.361
where: short stacking energy: -570.810
Base-Backbone interact. energy: -1.504
local terms energy: -647.472314
where:
bonds (distance) C4'-P energy: -126.771
bonds (distance) P-C4' energy: -130.943
flat angles C4'-P-C4' energy: -133.657
flat angles P-C4'-P energy: -103.904
tors. eta vs tors. theta energy: -152.197
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: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1937.464905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.464905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.604091 (E_RNA)
where:
Base-Base interactions energy: -1315.563
where: short stacking energy: -552.644
Base-Backbone interact. energy: 0.389
local terms energy: -625.430615
where:
bonds (distance) C4'-P energy: -129.951
bonds (distance) P-C4' energy: -115.680
flat angles C4'-P-C4' energy: -151.920
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -150.103
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: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1805.786734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.786734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.138193 (E_RNA)
where:
Base-Base interactions energy: -1225.677
where: short stacking energy: -517.200
Base-Backbone interact. energy: 2.199
local terms energy: -587.660592
where:
bonds (distance) C4'-P energy: -135.567
bonds (distance) P-C4' energy: -126.560
flat angles C4'-P-C4' energy: -122.678
flat angles P-C4'-P energy: -81.161
tors. eta vs tors. theta energy: -121.694
Dist. restrs. and SS energy: 5.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2912.354475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.354475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.086959 (E_RNA)
where:
Base-Base interactions energy: -2039.405
where: short stacking energy: -843.529
Base-Backbone interact. energy: -3.814
local terms energy: -870.868255
where:
bonds (distance) C4'-P energy: -155.370
bonds (distance) P-C4' energy: -166.110
flat angles C4'-P-C4' energy: -178.995
flat angles P-C4'-P energy: -125.384
tors. eta vs tors. theta energy: -245.010
Dist. restrs. and SS energy: 1.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2880.889723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.889723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.676192 (E_RNA)
where:
Base-Base interactions energy: -2018.110
where: short stacking energy: -807.130
Base-Backbone interact. energy: -3.506
local terms energy: -862.059717
where:
bonds (distance) C4'-P energy: -157.154
bonds (distance) P-C4' energy: -170.140
flat angles C4'-P-C4' energy: -187.514
flat angles P-C4'-P energy: -111.310
tors. eta vs tors. theta energy: -235.941
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2688.323662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.323662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.963866 (E_RNA)
where:
Base-Base interactions energy: -1840.160
where: short stacking energy: -754.789
Base-Backbone interact. energy: 6.722
local terms energy: -856.526311
where:
bonds (distance) C4'-P energy: -150.862
bonds (distance) P-C4' energy: -170.298
flat angles C4'-P-C4' energy: -182.898
flat angles P-C4'-P energy: -125.221
tors. eta vs tors. theta energy: -227.247
Dist. restrs. and SS energy: 1.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2601.688297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.688297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.252137 (E_RNA)
where:
Base-Base interactions energy: -1810.069
where: short stacking energy: -752.231
Base-Backbone interact. energy: -4.502
local terms energy: -788.680191
where:
bonds (distance) C4'-P energy: -154.934
bonds (distance) P-C4' energy: -141.177
flat angles C4'-P-C4' energy: -158.901
flat angles P-C4'-P energy: -105.737
tors. eta vs tors. theta energy: -227.931
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: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2428.307260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.307260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.988154 (E_RNA)
where:
Base-Base interactions energy: -1670.757
where: short stacking energy: -687.905
Base-Backbone interact. energy: 1.493
local terms energy: -762.724255
where:
bonds (distance) C4'-P energy: -144.968
bonds (distance) P-C4' energy: -147.000
flat angles C4'-P-C4' energy: -164.216
flat angles P-C4'-P energy: -108.700
tors. eta vs tors. theta energy: -197.840
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2277.951214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.951214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.053932 (E_RNA)
where:
Base-Base interactions energy: -1510.737
where: short stacking energy: -655.985
Base-Backbone interact. energy: -1.961
local terms energy: -767.355261
where:
bonds (distance) C4'-P energy: -134.297
bonds (distance) P-C4' energy: -160.950
flat angles C4'-P-C4' energy: -159.054
flat angles P-C4'-P energy: -120.973
tors. eta vs tors. theta energy: -192.082
Dist. restrs. and SS energy: 2.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2216.256304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.256304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.950473 (E_RNA)
where:
Base-Base interactions energy: -1506.528
where: short stacking energy: -644.646
Base-Backbone interact. energy: 1.831
local terms energy: -714.252986
where:
bonds (distance) C4'-P energy: -125.515
bonds (distance) P-C4' energy: -136.410
flat angles C4'-P-C4' energy: -159.726
flat angles P-C4'-P energy: -109.479
tors. eta vs tors. theta energy: -183.123
Dist. restrs. and SS energy: 2.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2020.610597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.610597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.461338 (E_RNA)
where:
Base-Base interactions energy: -1363.464
where: short stacking energy: -591.502
Base-Backbone interact. energy: 5.031
local terms energy: -664.029000
where:
bonds (distance) C4'-P energy: -141.382
bonds (distance) P-C4' energy: -139.679
flat angles C4'-P-C4' energy: -143.244
flat angles P-C4'-P energy: -66.234
tors. eta vs tors. theta energy: -173.490
Dist. restrs. and SS energy: 1.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1932.031369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.031369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.122751 (E_RNA)
where:
Base-Base interactions energy: -1296.868
where: short stacking energy: -556.118
Base-Backbone interact. energy: -0.853
local terms energy: -638.401885
where:
bonds (distance) C4'-P energy: -134.130
bonds (distance) P-C4' energy: -139.735
flat angles C4'-P-C4' energy: -139.848
flat angles P-C4'-P energy: -77.443
tors. eta vs tors. theta energy: -147.246
Dist. restrs. and SS energy: 4.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1864.963333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.963333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.181054 (E_RNA)
where:
Base-Base interactions energy: -1261.383
where: short stacking energy: -513.722
Base-Backbone interact. energy: -0.284
local terms energy: -607.514448
where:
bonds (distance) C4'-P energy: -134.545
bonds (distance) P-C4' energy: -121.623
flat angles C4'-P-C4' energy: -135.267
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -136.819
Dist. restrs. and SS energy: 4.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2928.777920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.777920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.041015 (E_RNA)
where:
Base-Base interactions energy: -2051.623
where: short stacking energy: -868.047
Base-Backbone interact. energy: -0.733
local terms energy: -877.684801
where:
bonds (distance) C4'-P energy: -153.366
bonds (distance) P-C4' energy: -151.986
flat angles C4'-P-C4' energy: -186.090
flat angles P-C4'-P energy: -125.518
tors. eta vs tors. theta energy: -260.725
Dist. restrs. and SS energy: 1.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2870.841277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.841277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.578663 (E_RNA)
where:
Base-Base interactions energy: -2010.943
where: short stacking energy: -811.329
Base-Backbone interact. energy: -5.731
local terms energy: -856.905186
where:
bonds (distance) C4'-P energy: -158.965
bonds (distance) P-C4' energy: -155.531
flat angles C4'-P-C4' energy: -182.540
flat angles P-C4'-P energy: -124.518
tors. eta vs tors. theta energy: -235.351
Dist. restrs. and SS energy: 2.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2727.199962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.199962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.094586 (E_RNA)
where:
Base-Base interactions energy: -1870.894
where: short stacking energy: -793.046
Base-Backbone interact. energy: -3.818
local terms energy: -854.382785
where:
bonds (distance) C4'-P energy: -145.623
bonds (distance) P-C4' energy: -164.759
flat angles C4'-P-C4' energy: -197.069
flat angles P-C4'-P energy: -118.588
tors. eta vs tors. theta energy: -228.344
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2595.507705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.507705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.684178 (E_RNA)
where:
Base-Base interactions energy: -1822.163
where: short stacking energy: -737.774
Base-Backbone interact. energy: -5.624
local terms energy: -768.896438
where:
bonds (distance) C4'-P energy: -136.897
bonds (distance) P-C4' energy: -137.551
flat angles C4'-P-C4' energy: -175.679
flat angles P-C4'-P energy: -98.709
tors. eta vs tors. theta energy: -220.061
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: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2448.272419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.272419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.060632 (E_RNA)
where:
Base-Base interactions energy: -1672.747
where: short stacking energy: -703.255
Base-Backbone interact. energy: 2.795
local terms energy: -781.108503
where:
bonds (distance) C4'-P energy: -134.412
bonds (distance) P-C4' energy: -164.716
flat angles C4'-P-C4' energy: -175.691
flat angles P-C4'-P energy: -107.977
tors. eta vs tors. theta energy: -198.311
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: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2332.870159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.870159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.093199 (E_RNA)
where:
Base-Base interactions energy: -1570.502
where: short stacking energy: -658.864
Base-Backbone interact. energy: -2.716
local terms energy: -761.874825
where:
bonds (distance) C4'-P energy: -153.743
bonds (distance) P-C4' energy: -153.989
flat angles C4'-P-C4' energy: -173.311
flat angles P-C4'-P energy: -103.247
tors. eta vs tors. theta energy: -177.585
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2178.646322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.646322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.480027 (E_RNA)
where:
Base-Base interactions energy: -1462.541
where: short stacking energy: -619.049
Base-Backbone interact. energy: -0.813
local terms energy: -718.125479
where:
bonds (distance) C4'-P energy: -138.219
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -166.719
flat angles P-C4'-P energy: -113.136
tors. eta vs tors. theta energy: -162.223
Dist. restrs. and SS energy: 2.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2040.618205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.618205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.467747 (E_RNA)
where:
Base-Base interactions energy: -1401.827
where: short stacking energy: -610.460
Base-Backbone interact. energy: -1.596
local terms energy: -641.044135
where:
bonds (distance) C4'-P energy: -134.012
bonds (distance) P-C4' energy: -133.039
flat angles C4'-P-C4' energy: -125.827
flat angles P-C4'-P energy: -73.345
tors. eta vs tors. theta energy: -174.820
Dist. restrs. and SS energy: 3.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1937.566945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.566945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.731566 (E_RNA)
where:
Base-Base interactions energy: -1324.999
where: short stacking energy: -560.428
Base-Backbone interact. energy: -2.062
local terms energy: -615.670720
where:
bonds (distance) C4'-P energy: -116.437
bonds (distance) P-C4' energy: -151.268
flat angles C4'-P-C4' energy: -118.538
flat angles P-C4'-P energy: -96.966
tors. eta vs tors. theta energy: -132.462
Dist. restrs. and SS energy: 5.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1854.751107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.751107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.365900 (E_RNA)
where:
Base-Base interactions energy: -1267.803
where: short stacking energy: -542.044
Base-Backbone interact. energy: -1.064
local terms energy: -590.498791
where:
bonds (distance) C4'-P energy: -119.569
bonds (distance) P-C4' energy: -135.180
flat angles C4'-P-C4' energy: -127.619
flat angles P-C4'-P energy: -80.610
tors. eta vs tors. theta energy: -127.520
Dist. restrs. and SS energy: 4.615 (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: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2925.126474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.126474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.911978 (E_RNA)
where:
Base-Base interactions energy: -2042.313
where: short stacking energy: -858.401
Base-Backbone interact. energy: 6.375
local terms energy: -889.974453
where:
bonds (distance) C4'-P energy: -165.583
bonds (distance) P-C4' energy: -161.932
flat angles C4'-P-C4' energy: -183.076
flat angles P-C4'-P energy: -124.765
tors. eta vs tors. theta energy: -254.618
Dist. restrs. and SS energy: 0.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2870.246132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.246132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.958665 (E_RNA)
where:
Base-Base interactions energy: -2002.989
where: short stacking energy: -841.761
Base-Backbone interact. energy: 2.390
local terms energy: -872.360050
where:
bonds (distance) C4'-P energy: -151.469
bonds (distance) P-C4' energy: -159.961
flat angles C4'-P-C4' energy: -187.467
flat angles P-C4'-P energy: -123.743
tors. eta vs tors. theta energy: -249.720
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: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2690.658131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.658131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.375520 (E_RNA)
where:
Base-Base interactions energy: -1844.195
where: short stacking energy: -763.750
Base-Backbone interact. energy: -0.184
local terms energy: -847.997023
where:
bonds (distance) C4'-P energy: -166.280
bonds (distance) P-C4' energy: -164.495
flat angles C4'-P-C4' energy: -175.471
flat angles P-C4'-P energy: -111.220
tors. eta vs tors. theta energy: -230.531
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2585.451276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.451276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.267489 (E_RNA)
where:
Base-Base interactions energy: -1777.651
where: short stacking energy: -770.862
Base-Backbone interact. energy: 2.131
local terms energy: -811.747161
where:
bonds (distance) C4'-P energy: -127.711
bonds (distance) P-C4' energy: -150.232
flat angles C4'-P-C4' energy: -176.439
flat angles P-C4'-P energy: -118.154
tors. eta vs tors. theta energy: -239.211
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: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2459.615045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.615045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.418046 (E_RNA)
where:
Base-Base interactions energy: -1748.042
where: short stacking energy: -721.044
Base-Backbone interact. energy: 8.155
local terms energy: -722.531228
where:
bonds (distance) C4'-P energy: -122.319
bonds (distance) P-C4' energy: -139.190
flat angles C4'-P-C4' energy: -154.712
flat angles P-C4'-P energy: -97.769
tors. eta vs tors. theta energy: -208.542
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2276.984422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.984422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.509572 (E_RNA)
where:
Base-Base interactions energy: -1532.201
where: short stacking energy: -678.238
Base-Backbone interact. energy: -0.384
local terms energy: -747.924525
where:
bonds (distance) C4'-P energy: -165.712
bonds (distance) P-C4' energy: -148.164
flat angles C4'-P-C4' energy: -147.486
flat angles P-C4'-P energy: -92.669
tors. eta vs tors. theta energy: -193.893
Dist. restrs. and SS energy: 3.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2201.178002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.178002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.660855 (E_RNA)
where:
Base-Base interactions energy: -1495.164
where: short stacking energy: -640.033
Base-Backbone interact. energy: -4.701
local terms energy: -702.795201
where:
bonds (distance) C4'-P energy: -128.587
bonds (distance) P-C4' energy: -143.458
flat angles C4'-P-C4' energy: -160.521
flat angles P-C4'-P energy: -87.126
tors. eta vs tors. theta energy: -183.103
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2006.676128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.676128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.462960 (E_RNA)
where:
Base-Base interactions energy: -1342.388
where: short stacking energy: -571.874
Base-Backbone interact. energy: -3.467
local terms energy: -663.608070
where:
bonds (distance) C4'-P energy: -136.078
bonds (distance) P-C4' energy: -149.025
flat angles C4'-P-C4' energy: -152.725
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -150.311
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: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1977.004174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.004174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.890587 (E_RNA)
where:
Base-Base interactions energy: -1393.857
where: short stacking energy: -572.414
Base-Backbone interact. energy: 4.168
local terms energy: -590.201705
where:
bonds (distance) C4'-P energy: -108.790
bonds (distance) P-C4' energy: -136.454
flat angles C4'-P-C4' energy: -143.312
flat angles P-C4'-P energy: -61.335
tors. eta vs tors. theta energy: -140.311
Dist. restrs. and SS energy: 2.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1877.663250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.663250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.352775 (E_RNA)
where:
Base-Base interactions energy: -1302.395
where: short stacking energy: -541.065
Base-Backbone interact. energy: -0.284
local terms energy: -577.673708
where:
bonds (distance) C4'-P energy: -137.805
bonds (distance) P-C4' energy: -114.099
flat angles C4'-P-C4' energy: -141.684
flat angles P-C4'-P energy: -62.966
tors. eta vs tors. theta energy: -121.119
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: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2911.088898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.088898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.567898 (E_RNA)
where:
Base-Base interactions energy: -2029.278
where: short stacking energy: -861.248
Base-Backbone interact. energy: 7.001
local terms energy: -890.290628
where:
bonds (distance) C4'-P energy: -172.581
bonds (distance) P-C4' energy: -149.013
flat angles C4'-P-C4' energy: -183.129
flat angles P-C4'-P energy: -127.042
tors. eta vs tors. theta energy: -258.526
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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2808.671622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.671622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.721904 (E_RNA)
where:
Base-Base interactions energy: -1958.800
where: short stacking energy: -822.724
Base-Backbone interact. energy: -3.811
local terms energy: -848.111162
where:
bonds (distance) C4'-P energy: -150.201
bonds (distance) P-C4' energy: -144.306
flat angles C4'-P-C4' energy: -185.761
flat angles P-C4'-P energy: -120.063
tors. eta vs tors. theta energy: -247.781
Dist. restrs. and SS energy: 2.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2697.055702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.055702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.048355 (E_RNA)
where:
Base-Base interactions energy: -1868.606
where: short stacking energy: -776.129
Base-Backbone interact. energy: -0.324
local terms energy: -830.118521
where:
bonds (distance) C4'-P energy: -131.064
bonds (distance) P-C4' energy: -160.410
flat angles C4'-P-C4' energy: -188.071
flat angles P-C4'-P energy: -120.983
tors. eta vs tors. theta energy: -229.591
Dist. restrs. and SS energy: 1.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2598.859503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.859503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.171941 (E_RNA)
where:
Base-Base interactions energy: -1800.939
where: short stacking energy: -765.362
Base-Backbone interact. energy: 3.294
local terms energy: -802.526505
where:
bonds (distance) C4'-P energy: -138.772
bonds (distance) P-C4' energy: -144.911
flat angles C4'-P-C4' energy: -178.580
flat angles P-C4'-P energy: -119.368
tors. eta vs tors. theta energy: -220.896
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2461.236493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.236493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.770238 (E_RNA)
where:
Base-Base interactions energy: -1691.807
where: short stacking energy: -700.452
Base-Backbone interact. energy: -1.919
local terms energy: -771.044511
where:
bonds (distance) C4'-P energy: -157.646
bonds (distance) P-C4' energy: -132.147
flat angles C4'-P-C4' energy: -158.873
flat angles P-C4'-P energy: -125.223
tors. eta vs tors. theta energy: -197.156
Dist. restrs. and SS energy: 3.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2252.994835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.133350 (E_RNA)
where:
Base-Base interactions energy: -1532.582
where: short stacking energy: -677.352
Base-Backbone interact. energy: -1.061
local terms energy: -721.491088
where:
bonds (distance) C4'-P energy: -130.435
bonds (distance) P-C4' energy: -147.559
flat angles C4'-P-C4' energy: -160.998
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -192.064
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2144.634539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.634539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.232248 (E_RNA)
where:
Base-Base interactions energy: -1452.065
where: short stacking energy: -610.777
Base-Backbone interact. energy: -0.323
local terms energy: -693.843975
where:
bonds (distance) C4'-P energy: -136.458
bonds (distance) P-C4' energy: -137.057
flat angles C4'-P-C4' energy: -154.418
flat angles P-C4'-P energy: -95.762
tors. eta vs tors. theta energy: -170.148
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: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2044.918411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.918411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.333560 (E_RNA)
where:
Base-Base interactions energy: -1376.119
where: short stacking energy: -613.747
Base-Backbone interact. energy: 6.048
local terms energy: -678.262205
where:
bonds (distance) C4'-P energy: -143.193
bonds (distance) P-C4' energy: -134.989
flat angles C4'-P-C4' energy: -152.280
flat angles P-C4'-P energy: -89.326
tors. eta vs tors. theta energy: -158.474
Dist. restrs. and SS energy: 3.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1994.415462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.415462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.829997 (E_RNA)
where:
Base-Base interactions energy: -1347.609
where: short stacking energy: -551.078
Base-Backbone interact. energy: -3.771
local terms energy: -645.450294
where:
bonds (distance) C4'-P energy: -123.526
bonds (distance) P-C4' energy: -138.358
flat angles C4'-P-C4' energy: -144.878
flat angles P-C4'-P energy: -88.350
tors. eta vs tors. theta energy: -150.338
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: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1852.140627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.140627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.000239 (E_RNA)
where:
Base-Base interactions energy: -1256.420
where: short stacking energy: -487.586
Base-Backbone interact. energy: -5.281
local terms energy: -594.298947
where:
bonds (distance) C4'-P energy: -131.401
bonds (distance) P-C4' energy: -119.024
flat angles C4'-P-C4' energy: -128.476
flat angles P-C4'-P energy: -77.714
tors. eta vs tors. theta energy: -137.684
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: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2929.908146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.908146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.888189 (E_RNA)
where:
Base-Base interactions energy: -2035.537
where: short stacking energy: -857.256
Base-Backbone interact. energy: -1.445
local terms energy: -894.906285
where:
bonds (distance) C4'-P energy: -149.510
bonds (distance) P-C4' energy: -167.136
flat angles C4'-P-C4' energy: -193.380
flat angles P-C4'-P energy: -129.342
tors. eta vs tors. theta energy: -255.539
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2842.202793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.202793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.400782 (E_RNA)
where:
Base-Base interactions energy: -2005.476
where: short stacking energy: -841.249
Base-Backbone interact. energy: -4.319
local terms energy: -834.605020
where:
bonds (distance) C4'-P energy: -142.987
bonds (distance) P-C4' energy: -150.008
flat angles C4'-P-C4' energy: -179.743
flat angles P-C4'-P energy: -116.554
tors. eta vs tors. theta energy: -245.314
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2701.546332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.546332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.501003 (E_RNA)
where:
Base-Base interactions energy: -1857.304
where: short stacking energy: -807.326
Base-Backbone interact. energy: -1.985
local terms energy: -844.212627
where:
bonds (distance) C4'-P energy: -145.580
bonds (distance) P-C4' energy: -142.671
flat angles C4'-P-C4' energy: -187.698
flat angles P-C4'-P energy: -125.095
tors. eta vs tors. theta energy: -243.169
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: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2639.434753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.434753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.116137 (E_RNA)
where:
Base-Base interactions energy: -1820.389
where: short stacking energy: -762.268
Base-Backbone interact. energy: 0.336
local terms energy: -821.062609
where:
bonds (distance) C4'-P energy: -150.767
bonds (distance) P-C4' energy: -161.515
flat angles C4'-P-C4' energy: -175.134
flat angles P-C4'-P energy: -102.008
tors. eta vs tors. theta energy: -231.639
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2408.713709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.713709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.387605 (E_RNA)
where:
Base-Base interactions energy: -1681.530
where: short stacking energy: -711.512
Base-Backbone interact. energy: 4.750
local terms energy: -733.607418
where:
bonds (distance) C4'-P energy: -142.108
bonds (distance) P-C4' energy: -125.544
flat angles C4'-P-C4' energy: -153.223
flat angles P-C4'-P energy: -115.120
tors. eta vs tors. theta energy: -197.612
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2283.610276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.610276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.048178 (E_RNA)
where:
Base-Base interactions energy: -1536.490
where: short stacking energy: -664.016
Base-Backbone interact. energy: 0.450
local terms energy: -750.007656
where:
bonds (distance) C4'-P energy: -125.097
bonds (distance) P-C4' energy: -152.677
flat angles C4'-P-C4' energy: -170.599
flat angles P-C4'-P energy: -108.020
tors. eta vs tors. theta energy: -193.615
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2166.622547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.622547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.473093 (E_RNA)
where:
Base-Base interactions energy: -1471.162
where: short stacking energy: -627.182
Base-Backbone interact. energy: -0.424
local terms energy: -697.887198
where:
bonds (distance) C4'-P energy: -122.257
bonds (distance) P-C4' energy: -152.386
flat angles C4'-P-C4' energy: -161.938
flat angles P-C4'-P energy: -85.581
tors. eta vs tors. theta energy: -175.725
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2017.639095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.639095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.029214 (E_RNA)
where:
Base-Base interactions energy: -1371.041
where: short stacking energy: -575.751
Base-Backbone interact. energy: 7.373
local terms energy: -655.360825
where:
bonds (distance) C4'-P energy: -131.409
bonds (distance) P-C4' energy: -136.972
flat angles C4'-P-C4' energy: -132.520
flat angles P-C4'-P energy: -95.529
tors. eta vs tors. theta energy: -158.930
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1928.065495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.065495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.448837 (E_RNA)
where:
Base-Base interactions energy: -1337.143
where: short stacking energy: -546.006
Base-Backbone interact. energy: -4.450
local terms energy: -590.855074
where:
bonds (distance) C4'-P energy: -111.000
bonds (distance) P-C4' energy: -140.126
flat angles C4'-P-C4' energy: -124.254
flat angles P-C4'-P energy: -81.541
tors. eta vs tors. theta energy: -133.935
Dist. restrs. and SS energy: 4.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1797.342740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.342740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.665971 (E_RNA)
where:
Base-Base interactions energy: -1212.867
where: short stacking energy: -499.992
Base-Backbone interact. energy: -0.773
local terms energy: -589.025851
where:
bonds (distance) C4'-P energy: -129.975
bonds (distance) P-C4' energy: -130.535
flat angles C4'-P-C4' energy: -122.618
flat angles P-C4'-P energy: -85.500
tors. eta vs tors. theta energy: -120.398
Dist. restrs. and SS energy: 5.323 (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: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2925.305410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.305410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.743513 (E_RNA)
where:
Base-Base interactions energy: -2032.578
where: short stacking energy: -848.218
Base-Backbone interact. energy: -1.338
local terms energy: -892.827633
where:
bonds (distance) C4'-P energy: -169.455
bonds (distance) P-C4' energy: -172.927
flat angles C4'-P-C4' energy: -189.023
flat angles P-C4'-P energy: -110.952
tors. eta vs tors. theta energy: -250.471
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2859.457772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.457772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.092126 (E_RNA)
where:
Base-Base interactions energy: -1952.361
where: short stacking energy: -798.451
Base-Backbone interact. energy: -6.848
local terms energy: -903.883182
where:
bonds (distance) C4'-P energy: -172.043
bonds (distance) P-C4' energy: -171.367
flat angles C4'-P-C4' energy: -191.435
flat angles P-C4'-P energy: -120.994
tors. eta vs tors. theta energy: -248.043
Dist. restrs. and SS energy: 3.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2655.661105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.661105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.467671 (E_RNA)
where:
Base-Base interactions energy: -1850.465
where: short stacking energy: -777.106
Base-Backbone interact. energy: 4.552
local terms energy: -811.555078
where:
bonds (distance) C4'-P energy: -141.460
bonds (distance) P-C4' energy: -147.935
flat angles C4'-P-C4' energy: -178.145
flat angles P-C4'-P energy: -118.130
tors. eta vs tors. theta energy: -225.884
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: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2630.645766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.645766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.406267 (E_RNA)
where:
Base-Base interactions energy: -1821.998
where: short stacking energy: -769.226
Base-Backbone interact. energy: -3.234
local terms energy: -807.174550
where:
bonds (distance) C4'-P energy: -143.906
bonds (distance) P-C4' energy: -155.180
flat angles C4'-P-C4' energy: -172.602
flat angles P-C4'-P energy: -118.234
tors. eta vs tors. theta energy: -217.253
Dist. restrs. and SS energy: 1.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2426.443925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.443925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.726407 (E_RNA)
where:
Base-Base interactions energy: -1656.188
where: short stacking energy: -704.885
Base-Backbone interact. energy: 4.038
local terms energy: -775.576202
where:
bonds (distance) C4'-P energy: -142.614
bonds (distance) P-C4' energy: -143.676
flat angles C4'-P-C4' energy: -174.903
flat angles P-C4'-P energy: -108.218
tors. eta vs tors. theta energy: -206.165
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: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2237.260682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.260682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.433342 (E_RNA)
where:
Base-Base interactions energy: -1515.800
where: short stacking energy: -645.493
Base-Backbone interact. energy: -1.483
local terms energy: -723.149879
where:
bonds (distance) C4'-P energy: -132.933
bonds (distance) P-C4' energy: -145.730
flat angles C4'-P-C4' energy: -160.103
flat angles P-C4'-P energy: -96.605
tors. eta vs tors. theta energy: -187.778
Dist. restrs. and SS energy: 3.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2193.445048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.445048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.446894 (E_RNA)
where:
Base-Base interactions energy: -1515.246
where: short stacking energy: -624.252
Base-Backbone interact. energy: -1.146
local terms energy: -680.055217
where:
bonds (distance) C4'-P energy: -136.959
bonds (distance) P-C4' energy: -131.496
flat angles C4'-P-C4' energy: -154.133
flat angles P-C4'-P energy: -93.955
tors. eta vs tors. theta energy: -163.512
Dist. restrs. and SS energy: 3.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2026.584162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.584162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.847958 (E_RNA)
where:
Base-Base interactions energy: -1353.909
where: short stacking energy: -578.604
Base-Backbone interact. energy: 4.104
local terms energy: -679.042527
where:
bonds (distance) C4'-P energy: -124.370
bonds (distance) P-C4' energy: -136.766
flat angles C4'-P-C4' energy: -137.382
flat angles P-C4'-P energy: -113.500
tors. eta vs tors. theta energy: -167.024
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -2009.166195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.166195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.385973 (E_RNA)
where:
Base-Base interactions energy: -1388.211
where: short stacking energy: -588.465
Base-Backbone interact. energy: -1.974
local terms energy: -621.200479
where:
bonds (distance) C4'-P energy: -123.672
bonds (distance) P-C4' energy: -110.074
flat angles C4'-P-C4' energy: -139.916
flat angles P-C4'-P energy: -95.136
tors. eta vs tors. theta energy: -152.403
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1886.339629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.339629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.839421 (E_RNA)
where:
Base-Base interactions energy: -1263.992
where: short stacking energy: -541.497
Base-Backbone interact. energy: 2.964
local terms energy: -630.811464
where:
bonds (distance) C4'-P energy: -123.852
bonds (distance) P-C4' energy: -144.593
flat angles C4'-P-C4' energy: -142.106
flat angles P-C4'-P energy: -92.284
tors. eta vs tors. theta energy: -127.976
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: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2926.882938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.882938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.217890 (E_RNA)
where:
Base-Base interactions energy: -2053.622
where: short stacking energy: -873.991
Base-Backbone interact. energy: -2.884
local terms energy: -871.711932
where:
bonds (distance) C4'-P energy: -150.863
bonds (distance) P-C4' energy: -143.880
flat angles C4'-P-C4' energy: -196.582
flat angles P-C4'-P energy: -134.925
tors. eta vs tors. theta energy: -245.461
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2869.745434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.745434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.729126 (E_RNA)
where:
Base-Base interactions energy: -2008.717
where: short stacking energy: -815.814
Base-Backbone interact. energy: -6.304
local terms energy: -856.708691
where:
bonds (distance) C4'-P energy: -160.230
bonds (distance) P-C4' energy: -144.853
flat angles C4'-P-C4' energy: -185.400
flat angles P-C4'-P energy: -121.264
tors. eta vs tors. theta energy: -244.962
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2654.984361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.984361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.377025 (E_RNA)
where:
Base-Base interactions energy: -1822.821
where: short stacking energy: -790.001
Base-Backbone interact. energy: 1.893
local terms energy: -835.448375
where:
bonds (distance) C4'-P energy: -152.761
bonds (distance) P-C4' energy: -151.085
flat angles C4'-P-C4' energy: -184.264
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -227.259
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2603.118219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.118219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.424244 (E_RNA)
where:
Base-Base interactions energy: -1805.983
where: short stacking energy: -768.702
Base-Backbone interact. energy: 1.705
local terms energy: -800.145799
where:
bonds (distance) C4'-P energy: -144.979
bonds (distance) P-C4' energy: -141.282
flat angles C4'-P-C4' energy: -172.243
flat angles P-C4'-P energy: -122.741
tors. eta vs tors. theta energy: -218.901
Dist. restrs. and SS energy: 1.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2446.523185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.523185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.007136 (E_RNA)
where:
Base-Base interactions energy: -1683.493
where: short stacking energy: -711.159
Base-Backbone interact. energy: -3.051
local terms energy: -763.463484
where:
bonds (distance) C4'-P energy: -137.457
bonds (distance) P-C4' energy: -163.799
flat angles C4'-P-C4' energy: -152.751
flat angles P-C4'-P energy: -106.247
tors. eta vs tors. theta energy: -203.209
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2274.133280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.133280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.947982 (E_RNA)
where:
Base-Base interactions energy: -1562.434
where: short stacking energy: -652.270
Base-Backbone interact. energy: -2.991
local terms energy: -711.522958
where:
bonds (distance) C4'-P energy: -142.767
bonds (distance) P-C4' energy: -138.795
flat angles C4'-P-C4' energy: -164.553
flat angles P-C4'-P energy: -93.380
tors. eta vs tors. theta energy: -172.028
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2242.790598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.790598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.362913 (E_RNA)
where:
Base-Base interactions energy: -1567.039
where: short stacking energy: -658.267
Base-Backbone interact. energy: -0.513
local terms energy: -676.811026
where:
bonds (distance) C4'-P energy: -137.107
bonds (distance) P-C4' energy: -129.025
flat angles C4'-P-C4' energy: -167.717
flat angles P-C4'-P energy: -65.361
tors. eta vs tors. theta energy: -177.601
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: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2057.499685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.152308 (E_RNA)
where:
Base-Base interactions energy: -1401.856
where: short stacking energy: -618.211
Base-Backbone interact. energy: -1.153
local terms energy: -657.143076
where:
bonds (distance) C4'-P energy: -124.180
bonds (distance) P-C4' energy: -132.317
flat angles C4'-P-C4' energy: -156.132
flat angles P-C4'-P energy: -79.463
tors. eta vs tors. theta energy: -165.051
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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1944.461181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.461181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.358302 (E_RNA)
where:
Base-Base interactions energy: -1316.672
where: short stacking energy: -571.797
Base-Backbone interact. energy: -2.569
local terms energy: -628.116916
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -118.944
flat angles C4'-P-C4' energy: -163.448
flat angles P-C4'-P energy: -98.516
tors. eta vs tors. theta energy: -150.329
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: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1898.724503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.724503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.281135 (E_RNA)
where:
Base-Base interactions energy: -1318.044
where: short stacking energy: -550.587
Base-Backbone interact. energy: -0.363
local terms energy: -585.873803
where:
bonds (distance) C4'-P energy: -133.111
bonds (distance) P-C4' energy: -104.585
flat angles C4'-P-C4' energy: -137.989
flat angles P-C4'-P energy: -85.799
tors. eta vs tors. theta energy: -124.389
Dist. restrs. and SS energy: 5.557 (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: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2933.940836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.940836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.161295 (E_RNA)
where:
Base-Base interactions energy: -2043.434
where: short stacking energy: -857.871
Base-Backbone interact. energy: -4.401
local terms energy: -888.325888
where:
bonds (distance) C4'-P energy: -150.648
bonds (distance) P-C4' energy: -176.420
flat angles C4'-P-C4' energy: -188.532
flat angles P-C4'-P energy: -126.596
tors. eta vs tors. theta energy: -246.130
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2874.183322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.183322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.751023 (E_RNA)
where:
Base-Base interactions energy: -1999.635
where: short stacking energy: -812.914
Base-Backbone interact. energy: -2.967
local terms energy: -874.148455
where:
bonds (distance) C4'-P energy: -167.459
bonds (distance) P-C4' energy: -162.589
flat angles C4'-P-C4' energy: -180.817
flat angles P-C4'-P energy: -125.155
tors. eta vs tors. theta energy: -238.128
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: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2694.349333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.349333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.823230 (E_RNA)
where:
Base-Base interactions energy: -1857.942
where: short stacking energy: -809.702
Base-Backbone interact. energy: 1.592
local terms energy: -839.473054
where:
bonds (distance) C4'-P energy: -159.360
bonds (distance) P-C4' energy: -162.759
flat angles C4'-P-C4' energy: -166.661
flat angles P-C4'-P energy: -110.588
tors. eta vs tors. theta energy: -240.106
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2616.217423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.217423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.474255 (E_RNA)
where:
Base-Base interactions energy: -1788.089
where: short stacking energy: -744.341
Base-Backbone interact. energy: 5.867
local terms energy: -836.252922
where:
bonds (distance) C4'-P energy: -165.107
bonds (distance) P-C4' energy: -156.896
flat angles C4'-P-C4' energy: -173.848
flat angles P-C4'-P energy: -124.488
tors. eta vs tors. theta energy: -215.914
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2435.109338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.109338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.953540 (E_RNA)
where:
Base-Base interactions energy: -1667.880
where: short stacking energy: -720.585
Base-Backbone interact. energy: -2.761
local terms energy: -767.311719
where:
bonds (distance) C4'-P energy: -151.424
bonds (distance) P-C4' energy: -140.841
flat angles C4'-P-C4' energy: -165.059
flat angles P-C4'-P energy: -107.789
tors. eta vs tors. theta energy: -202.198
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: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2270.129629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.129629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.055830 (E_RNA)
where:
Base-Base interactions energy: -1560.511
where: short stacking energy: -652.645
Base-Backbone interact. energy: 1.241
local terms energy: -712.785982
where:
bonds (distance) C4'-P energy: -137.467
bonds (distance) P-C4' energy: -140.761
flat angles C4'-P-C4' energy: -155.379
flat angles P-C4'-P energy: -104.327
tors. eta vs tors. theta energy: -174.852
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: 429
Temperature: 1.200000
Total energy: -2139.685067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.685067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.217417 (E_RNA)
where:
Base-Base interactions energy: -1476.199
where: short stacking energy: -643.640
Base-Backbone interact. energy: 5.847
local terms energy: -670.865450
where:
bonds (distance) C4'-P energy: -125.512
bonds (distance) P-C4' energy: -139.643
flat angles C4'-P-C4' energy: -146.802
flat angles P-C4'-P energy: -87.567
tors. eta vs tors. theta energy: -171.341
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: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2017.192044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.192044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.460697 (E_RNA)
where:
Base-Base interactions energy: -1373.247
where: short stacking energy: -586.587
Base-Backbone interact. energy: -0.846
local terms energy: -645.367422
where:
bonds (distance) C4'-P energy: -126.618
bonds (distance) P-C4' energy: -130.103
flat angles C4'-P-C4' energy: -155.117
flat angles P-C4'-P energy: -82.764
tors. eta vs tors. theta energy: -150.766
Dist. restrs. and SS energy: 2.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1952.190261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.190261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.074869 (E_RNA)
where:
Base-Base interactions energy: -1352.570
where: short stacking energy: -572.212
Base-Backbone interact. energy: 0.740
local terms energy: -603.244506
where:
bonds (distance) C4'-P energy: -118.146
bonds (distance) P-C4' energy: -123.208
flat angles C4'-P-C4' energy: -148.515
flat angles P-C4'-P energy: -58.108
tors. eta vs tors. theta energy: -155.266
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: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1868.056103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.056103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.886767 (E_RNA)
where:
Base-Base interactions energy: -1263.566
where: short stacking energy: -543.631
Base-Backbone interact. energy: -2.363
local terms energy: -604.957835
where:
bonds (distance) C4'-P energy: -101.491
bonds (distance) P-C4' energy: -133.289
flat angles C4'-P-C4' energy: -144.804
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -136.404
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2934.119320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.119320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.594033 (E_RNA)
where:
Base-Base interactions energy: -2049.464
where: short stacking energy: -839.685
Base-Backbone interact. energy: 2.272
local terms energy: -889.402500
where:
bonds (distance) C4'-P energy: -157.918
bonds (distance) P-C4' energy: -173.919
flat angles C4'-P-C4' energy: -192.036
flat angles P-C4'-P energy: -123.071
tors. eta vs tors. theta energy: -242.458
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: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2838.414205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.414205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.850642 (E_RNA)
where:
Base-Base interactions energy: -1982.259
where: short stacking energy: -805.694
Base-Backbone interact. energy: 2.743
local terms energy: -860.334751
where:
bonds (distance) C4'-P energy: -161.982
bonds (distance) P-C4' energy: -153.024
flat angles C4'-P-C4' energy: -180.774
flat angles P-C4'-P energy: -130.857
tors. eta vs tors. theta energy: -233.697
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: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2631.657633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.162070 (E_RNA)
where:
Base-Base interactions energy: -1824.656
where: short stacking energy: -779.536
Base-Backbone interact. energy: 4.251
local terms energy: -812.756671
where:
bonds (distance) C4'-P energy: -135.215
bonds (distance) P-C4' energy: -158.345
flat angles C4'-P-C4' energy: -186.918
flat angles P-C4'-P energy: -116.615
tors. eta vs tors. theta energy: -215.663
Dist. restrs. and SS energy: 1.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2643.914841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.914841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.756105 (E_RNA)
where:
Base-Base interactions energy: -1844.511
where: short stacking energy: -751.205
Base-Backbone interact. energy: -3.117
local terms energy: -798.127987
where:
bonds (distance) C4'-P energy: -136.467
bonds (distance) P-C4' energy: -157.480
flat angles C4'-P-C4' energy: -154.366
flat angles P-C4'-P energy: -118.686
tors. eta vs tors. theta energy: -231.129
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: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2459.378322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.378322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.231357 (E_RNA)
where:
Base-Base interactions energy: -1701.471
where: short stacking energy: -723.304
Base-Backbone interact. energy: 3.742
local terms energy: -764.502370
where:
bonds (distance) C4'-P energy: -127.504
bonds (distance) P-C4' energy: -157.122
flat angles C4'-P-C4' energy: -172.877
flat angles P-C4'-P energy: -109.108
tors. eta vs tors. theta energy: -197.892
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: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2279.809431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.809431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.673500 (E_RNA)
where:
Base-Base interactions energy: -1547.059
where: short stacking energy: -639.207
Base-Backbone interact. energy: -1.286
local terms energy: -732.328060
where:
bonds (distance) C4'-P energy: -139.341
bonds (distance) P-C4' energy: -131.501
flat angles C4'-P-C4' energy: -159.983
flat angles P-C4'-P energy: -109.852
tors. eta vs tors. theta energy: -191.651
Dist. restrs. and SS energy: 0.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2122.552439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.552439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.746492 (E_RNA)
where:
Base-Base interactions energy: -1430.853
where: short stacking energy: -603.146
Base-Backbone interact. energy: -2.494
local terms energy: -691.399831
where:
bonds (distance) C4'-P energy: -144.397
bonds (distance) P-C4' energy: -149.094
flat angles C4'-P-C4' energy: -145.518
flat angles P-C4'-P energy: -87.281
tors. eta vs tors. theta energy: -165.110
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: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2070.378052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.378052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.327580 (E_RNA)
where:
Base-Base interactions energy: -1437.979
where: short stacking energy: -605.284
Base-Backbone interact. energy: -0.723
local terms energy: -633.625744
where:
bonds (distance) C4'-P energy: -124.749
bonds (distance) P-C4' energy: -129.937
flat angles C4'-P-C4' energy: -151.589
flat angles P-C4'-P energy: -72.259
tors. eta vs tors. theta energy: -155.092
Dist. restrs. and SS energy: 1.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1939.745389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.745389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.430289 (E_RNA)
where:
Base-Base interactions energy: -1304.224
where: short stacking energy: -549.428
Base-Backbone interact. energy: 6.530
local terms energy: -644.735663
where:
bonds (distance) C4'-P energy: -122.194
bonds (distance) P-C4' energy: -128.441
flat angles C4'-P-C4' energy: -150.155
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -150.035
Dist. restrs. and SS energy: 2.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1891.720339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.831184 (E_RNA)
where:
Base-Base interactions energy: -1255.266
where: short stacking energy: -536.557
Base-Backbone interact. energy: 2.727
local terms energy: -642.291667
where:
bonds (distance) C4'-P energy: -126.537
bonds (distance) P-C4' energy: -136.568
flat angles C4'-P-C4' energy: -159.283
flat angles P-C4'-P energy: -88.370
tors. eta vs tors. theta energy: -131.533
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: 431
Temperature: 0.900000
Total energy: -2946.369254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.369254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.372283 (E_RNA)
where:
Base-Base interactions energy: -2058.553
where: short stacking energy: -848.928
Base-Backbone interact. energy: -3.501
local terms energy: -885.318315
where:
bonds (distance) C4'-P energy: -163.280
bonds (distance) P-C4' energy: -163.708
flat angles C4'-P-C4' energy: -187.467
flat angles P-C4'-P energy: -125.538
tors. eta vs tors. theta energy: -245.326
Dist. restrs. and SS energy: 1.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2880.071483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.071483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.922394 (E_RNA)
where:
Base-Base interactions energy: -2008.262
where: short stacking energy: -808.129
Base-Backbone interact. energy: -4.316
local terms energy: -869.344534
where:
bonds (distance) C4'-P energy: -144.137
bonds (distance) P-C4' energy: -163.601
flat angles C4'-P-C4' energy: -182.301
flat angles P-C4'-P energy: -135.623
tors. eta vs tors. theta energy: -243.682
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2676.060511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.060511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.880308 (E_RNA)
where:
Base-Base interactions energy: -1843.778
where: short stacking energy: -778.501
Base-Backbone interact. energy: 3.468
local terms energy: -837.570122
where:
bonds (distance) C4'-P energy: -136.457
bonds (distance) P-C4' energy: -162.287
flat angles C4'-P-C4' energy: -184.789
flat angles P-C4'-P energy: -117.481
tors. eta vs tors. theta energy: -236.556
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: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2623.465076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.465076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.044398 (E_RNA)
where:
Base-Base interactions energy: -1810.033
where: short stacking energy: -768.273
Base-Backbone interact. energy: -1.364
local terms energy: -815.646752
where:
bonds (distance) C4'-P energy: -144.025
bonds (distance) P-C4' energy: -153.640
flat angles C4'-P-C4' energy: -175.174
flat angles P-C4'-P energy: -113.407
tors. eta vs tors. theta energy: -229.401
Dist. restrs. and SS energy: 3.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2418.438146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.438146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.929014 (E_RNA)
where:
Base-Base interactions energy: -1652.448
where: short stacking energy: -688.805
Base-Backbone interact. energy: 3.873
local terms energy: -771.353844
where:
bonds (distance) C4'-P energy: -146.611
bonds (distance) P-C4' energy: -155.585
flat angles C4'-P-C4' energy: -169.716
flat angles P-C4'-P energy: -107.159
tors. eta vs tors. theta energy: -192.283
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: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2283.731991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.731991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.721692 (E_RNA)
where:
Base-Base interactions energy: -1560.213
where: short stacking energy: -676.354
Base-Backbone interact. energy: -0.437
local terms energy: -725.071800
where:
bonds (distance) C4'-P energy: -130.463
bonds (distance) P-C4' energy: -149.809
flat angles C4'-P-C4' energy: -147.047
flat angles P-C4'-P energy: -104.482
tors. eta vs tors. theta energy: -193.271
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2111.776513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.776513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.866469 (E_RNA)
where:
Base-Base interactions energy: -1421.667
where: short stacking energy: -596.439
Base-Backbone interact. energy: -0.317
local terms energy: -691.882683
where:
bonds (distance) C4'-P energy: -138.147
bonds (distance) P-C4' energy: -145.268
flat angles C4'-P-C4' energy: -153.332
flat angles P-C4'-P energy: -101.077
tors. eta vs tors. theta energy: -154.058
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: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2086.951193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.951193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.259850 (E_RNA)
where:
Base-Base interactions energy: -1427.493
where: short stacking energy: -603.510
Base-Backbone interact. energy: -0.286
local terms energy: -661.480773
where:
bonds (distance) C4'-P energy: -136.732
bonds (distance) P-C4' energy: -128.849
flat angles C4'-P-C4' energy: -149.426
flat angles P-C4'-P energy: -94.023
tors. eta vs tors. theta energy: -152.450
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1926.190443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.190443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.046731 (E_RNA)
where:
Base-Base interactions energy: -1285.480
where: short stacking energy: -555.074
Base-Backbone interact. energy: -0.257
local terms energy: -643.309269
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -132.841
flat angles C4'-P-C4' energy: -142.030
flat angles P-C4'-P energy: -99.102
tors. eta vs tors. theta energy: -136.095
Dist. restrs. and SS energy: 2.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1925.104004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.104004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.011611 (E_RNA)
where:
Base-Base interactions energy: -1314.006
where: short stacking energy: -537.235
Base-Backbone interact. energy: -1.299
local terms energy: -617.707165
where:
bonds (distance) C4'-P energy: -125.276
bonds (distance) P-C4' energy: -130.572
flat angles C4'-P-C4' energy: -124.667
flat angles P-C4'-P energy: -104.879
tors. eta vs tors. theta energy: -132.313
Dist. restrs. and SS energy: 7.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2907.948263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.948263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.535920 (E_RNA)
where:
Base-Base interactions energy: -2010.556
where: short stacking energy: -842.254
Base-Backbone interact. energy: 2.270
local terms energy: -901.250021
where:
bonds (distance) C4'-P energy: -158.099
bonds (distance) P-C4' energy: -173.776
flat angles C4'-P-C4' energy: -189.845
flat angles P-C4'-P energy: -124.568
tors. eta vs tors. theta energy: -254.962
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: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2845.516547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.516547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.542650 (E_RNA)
where:
Base-Base interactions energy: -1976.067
where: short stacking energy: -795.672
Base-Backbone interact. energy: -2.855
local terms energy: -869.620848
where:
bonds (distance) C4'-P energy: -163.092
bonds (distance) P-C4' energy: -150.461
flat angles C4'-P-C4' energy: -198.260
flat angles P-C4'-P energy: -120.188
tors. eta vs tors. theta energy: -237.620
Dist. restrs. and SS energy: 3.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2715.269064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.269064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.072884 (E_RNA)
where:
Base-Base interactions energy: -1868.017
where: short stacking energy: -774.305
Base-Backbone interact. energy: 1.946
local terms energy: -852.001004
where:
bonds (distance) C4'-P energy: -150.536
bonds (distance) P-C4' energy: -150.278
flat angles C4'-P-C4' energy: -195.121
flat angles P-C4'-P energy: -121.829
tors. eta vs tors. theta energy: -234.237
Dist. restrs. and SS energy: 2.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2626.985123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.985123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.691631 (E_RNA)
where:
Base-Base interactions energy: -1803.890
where: short stacking energy: -757.772
Base-Backbone interact. energy: 6.054
local terms energy: -830.855744
where:
bonds (distance) C4'-P energy: -147.594
bonds (distance) P-C4' energy: -154.802
flat angles C4'-P-C4' energy: -170.125
flat angles P-C4'-P energy: -122.442
tors. eta vs tors. theta energy: -235.893
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2397.975152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.975152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.041209 (E_RNA)
where:
Base-Base interactions energy: -1634.237
where: short stacking energy: -699.829
Base-Backbone interact. energy: -4.492
local terms energy: -762.312218
where:
bonds (distance) C4'-P energy: -144.529
bonds (distance) P-C4' energy: -147.180
flat angles C4'-P-C4' energy: -163.797
flat angles P-C4'-P energy: -112.306
tors. eta vs tors. theta energy: -194.501
Dist. restrs. and SS energy: 3.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2288.816354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.816354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.863755 (E_RNA)
where:
Base-Base interactions energy: -1550.161
where: short stacking energy: -656.917
Base-Backbone interact. energy: 1.027
local terms energy: -740.730541
where:
bonds (distance) C4'-P energy: -129.135
bonds (distance) P-C4' energy: -152.631
flat angles C4'-P-C4' energy: -164.549
flat angles P-C4'-P energy: -102.587
tors. eta vs tors. theta energy: -191.828
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: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2139.760712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.760712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.849183 (E_RNA)
where:
Base-Base interactions energy: -1448.318
where: short stacking energy: -618.172
Base-Backbone interact. energy: 1.503
local terms energy: -696.033635
where:
bonds (distance) C4'-P energy: -148.878
bonds (distance) P-C4' energy: -142.179
flat angles C4'-P-C4' energy: -143.967
flat angles P-C4'-P energy: -97.212
tors. eta vs tors. theta energy: -163.798
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: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2101.677946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.677946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.991642 (E_RNA)
where:
Base-Base interactions energy: -1440.031
where: short stacking energy: -581.595
Base-Backbone interact. energy: -2.046
local terms energy: -660.914662
where:
bonds (distance) C4'-P energy: -129.503
bonds (distance) P-C4' energy: -143.765
flat angles C4'-P-C4' energy: -134.069
flat angles P-C4'-P energy: -101.386
tors. eta vs tors. theta energy: -152.191
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1921.140643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.140643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.619469 (E_RNA)
where:
Base-Base interactions energy: -1299.883
where: short stacking energy: -547.759
Base-Backbone interact. energy: 3.354
local terms energy: -627.090564
where:
bonds (distance) C4'-P energy: -124.640
bonds (distance) P-C4' energy: -151.911
flat angles C4'-P-C4' energy: -147.870
flat angles P-C4'-P energy: -71.385
tors. eta vs tors. theta energy: -131.285
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1884.204868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.204868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.215156 (E_RNA)
where:
Base-Base interactions energy: -1302.071
where: short stacking energy: -539.105
Base-Backbone interact. energy: 2.294
local terms energy: -588.438676
where:
bonds (distance) C4'-P energy: -125.862
bonds (distance) P-C4' energy: -98.639
flat angles C4'-P-C4' energy: -132.580
flat angles P-C4'-P energy: -92.280
tors. eta vs tors. theta energy: -139.078
Dist. restrs. and SS energy: 4.010 (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: 433
Temperature: 0.900000
Total energy: -2909.578307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.578307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.750636 (E_RNA)
where:
Base-Base interactions energy: -2004.902
where: short stacking energy: -832.932
Base-Backbone interact. energy: -3.937
local terms energy: -901.911645
where:
bonds (distance) C4'-P energy: -173.232
bonds (distance) P-C4' energy: -167.010
flat angles C4'-P-C4' energy: -185.367
flat angles P-C4'-P energy: -130.342
tors. eta vs tors. theta energy: -245.961
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2821.511528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.511528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.232794 (E_RNA)
where:
Base-Base interactions energy: -1968.995
where: short stacking energy: -807.497
Base-Backbone interact. energy: -4.322
local terms energy: -849.915902
where:
bonds (distance) C4'-P energy: -158.506
bonds (distance) P-C4' energy: -153.273
flat angles C4'-P-C4' energy: -187.912
flat angles P-C4'-P energy: -120.579
tors. eta vs tors. theta energy: -229.645
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2736.494970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.494970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.796640 (E_RNA)
where:
Base-Base interactions energy: -1856.726
where: short stacking energy: -821.018
Base-Backbone interact. energy: -3.037
local terms energy: -880.033577
where:
bonds (distance) C4'-P energy: -155.092
bonds (distance) P-C4' energy: -166.940
flat angles C4'-P-C4' energy: -188.885
flat angles P-C4'-P energy: -117.599
tors. eta vs tors. theta energy: -251.518
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2622.418539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.418539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.720042 (E_RNA)
where:
Base-Base interactions energy: -1811.565
where: short stacking energy: -737.936
Base-Backbone interact. energy: -0.597
local terms energy: -812.558493
where:
bonds (distance) C4'-P energy: -148.982
bonds (distance) P-C4' energy: -151.042
flat angles C4'-P-C4' energy: -182.641
flat angles P-C4'-P energy: -104.840
tors. eta vs tors. theta energy: -225.054
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: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2436.138155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.138155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.283035 (E_RNA)
where:
Base-Base interactions energy: -1693.715
where: short stacking energy: -720.092
Base-Backbone interact. energy: -2.369
local terms energy: -742.198750
where:
bonds (distance) C4'-P energy: -132.218
bonds (distance) P-C4' energy: -156.188
flat angles C4'-P-C4' energy: -171.378
flat angles P-C4'-P energy: -97.584
tors. eta vs tors. theta energy: -184.831
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2286.611655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.611655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.082319 (E_RNA)
where:
Base-Base interactions energy: -1564.762
where: short stacking energy: -660.966
Base-Backbone interact. energy: 1.176
local terms energy: -724.496021
where:
bonds (distance) C4'-P energy: -142.435
bonds (distance) P-C4' energy: -145.191
flat angles C4'-P-C4' energy: -163.244
flat angles P-C4'-P energy: -99.818
tors. eta vs tors. theta energy: -173.808
Dist. restrs. and SS energy: 1.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2104.116782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.116782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.703034 (E_RNA)
where:
Base-Base interactions energy: -1428.350
where: short stacking energy: -615.897
Base-Backbone interact. energy: -0.382
local terms energy: -676.971194
where:
bonds (distance) C4'-P energy: -145.765
bonds (distance) P-C4' energy: -126.537
flat angles C4'-P-C4' energy: -157.641
flat angles P-C4'-P energy: -96.597
tors. eta vs tors. theta energy: -150.432
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: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2134.581054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.581054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.046308 (E_RNA)
where:
Base-Base interactions energy: -1475.010
where: short stacking energy: -619.001
Base-Backbone interact. energy: 1.817
local terms energy: -662.853740
where:
bonds (distance) C4'-P energy: -127.182
bonds (distance) P-C4' energy: -128.652
flat angles C4'-P-C4' energy: -139.655
flat angles P-C4'-P energy: -95.886
tors. eta vs tors. theta energy: -171.479
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: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -2000.689702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.689702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.268003 (E_RNA)
where:
Base-Base interactions energy: -1367.083
where: short stacking energy: -570.858
Base-Backbone interact. energy: -2.352
local terms energy: -633.832859
where:
bonds (distance) C4'-P energy: -117.141
bonds (distance) P-C4' energy: -133.973
flat angles C4'-P-C4' energy: -144.196
flat angles P-C4'-P energy: -86.516
tors. eta vs tors. theta energy: -152.007
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: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1886.728015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.728015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.104154 (E_RNA)
where:
Base-Base interactions energy: -1255.105
where: short stacking energy: -532.533
Base-Backbone interact. energy: -0.216
local terms energy: -634.783172
where:
bonds (distance) C4'-P energy: -127.585
bonds (distance) P-C4' energy: -126.480
flat angles C4'-P-C4' energy: -154.500
flat angles P-C4'-P energy: -91.400
tors. eta vs tors. theta energy: -134.818
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: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2929.172292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.172292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.822703 (E_RNA)
where:
Base-Base interactions energy: -2040.311
where: short stacking energy: -857.837
Base-Backbone interact. energy: 0.600
local terms energy: -891.111672
where:
bonds (distance) C4'-P energy: -173.065
bonds (distance) P-C4' energy: -157.150
flat angles C4'-P-C4' energy: -185.766
flat angles P-C4'-P energy: -129.675
tors. eta vs tors. theta energy: -245.456
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2811.351656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.351656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.707220 (E_RNA)
where:
Base-Base interactions energy: -1937.440
where: short stacking energy: -795.664
Base-Backbone interact. energy: 0.382
local terms energy: -875.649350
where:
bonds (distance) C4'-P energy: -159.257
bonds (distance) P-C4' energy: -158.116
flat angles C4'-P-C4' energy: -183.068
flat angles P-C4'-P energy: -127.380
tors. eta vs tors. theta energy: -247.828
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2668.038832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.038832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.904068 (E_RNA)
where:
Base-Base interactions energy: -1850.959
where: short stacking energy: -793.771
Base-Backbone interact. energy: -3.620
local terms energy: -815.325148
where:
bonds (distance) C4'-P energy: -156.541
bonds (distance) P-C4' energy: -148.178
flat angles C4'-P-C4' energy: -168.641
flat angles P-C4'-P energy: -107.087
tors. eta vs tors. theta energy: -234.877
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: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2651.167607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.167607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.210804 (E_RNA)
where:
Base-Base interactions energy: -1850.275
where: short stacking energy: -757.627
Base-Backbone interact. energy: -1.497
local terms energy: -802.439006
where:
bonds (distance) C4'-P energy: -147.130
bonds (distance) P-C4' energy: -143.314
flat angles C4'-P-C4' energy: -175.345
flat angles P-C4'-P energy: -122.700
tors. eta vs tors. theta energy: -213.950
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: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2432.123662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.123662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.728524 (E_RNA)
where:
Base-Base interactions energy: -1661.317
where: short stacking energy: -717.034
Base-Backbone interact. energy: 0.356
local terms energy: -772.767563
where:
bonds (distance) C4'-P energy: -150.932
bonds (distance) P-C4' energy: -144.971
flat angles C4'-P-C4' energy: -160.483
flat angles P-C4'-P energy: -113.026
tors. eta vs tors. theta energy: -203.356
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: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2257.825936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.825936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.951171 (E_RNA)
where:
Base-Base interactions energy: -1502.571
where: short stacking energy: -652.648
Base-Backbone interact. energy: -1.637
local terms energy: -755.743089
where:
bonds (distance) C4'-P energy: -138.174
bonds (distance) P-C4' energy: -161.473
flat angles C4'-P-C4' energy: -156.074
flat angles P-C4'-P energy: -112.072
tors. eta vs tors. theta energy: -187.950
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2148.150511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.150511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.233209 (E_RNA)
where:
Base-Base interactions energy: -1464.331
where: short stacking energy: -625.017
Base-Backbone interact. energy: -3.013
local terms energy: -682.889105
where:
bonds (distance) C4'-P energy: -130.623
bonds (distance) P-C4' energy: -139.696
flat angles C4'-P-C4' energy: -146.145
flat angles P-C4'-P energy: -95.443
tors. eta vs tors. theta energy: -170.982
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2098.576810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.576810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.069529 (E_RNA)
where:
Base-Base interactions energy: -1443.791
where: short stacking energy: -602.225
Base-Backbone interact. energy: 4.057
local terms energy: -661.334868
where:
bonds (distance) C4'-P energy: -129.195
bonds (distance) P-C4' energy: -117.784
flat angles C4'-P-C4' energy: -155.953
flat angles P-C4'-P energy: -88.519
tors. eta vs tors. theta energy: -169.884
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: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -2002.302464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.302464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.905416 (E_RNA)
where:
Base-Base interactions energy: -1356.675
where: short stacking energy: -579.489
Base-Backbone interact. energy: 3.324
local terms energy: -650.554630
where:
bonds (distance) C4'-P energy: -112.884
bonds (distance) P-C4' energy: -116.510
flat angles C4'-P-C4' energy: -175.380
flat angles P-C4'-P energy: -97.567
tors. eta vs tors. theta energy: -148.213
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1842.254517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.254517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.777040 (E_RNA)
where:
Base-Base interactions energy: -1242.924
where: short stacking energy: -543.904
Base-Backbone interact. energy: -3.444
local terms energy: -600.408182
where:
bonds (distance) C4'-P energy: -95.837
bonds (distance) P-C4' energy: -130.782
flat angles C4'-P-C4' energy: -144.818
flat angles P-C4'-P energy: -91.855
tors. eta vs tors. theta energy: -137.117
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: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2919.160574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.160574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.933986 (E_RNA)
where:
Base-Base interactions energy: -2018.152
where: short stacking energy: -852.261
Base-Backbone interact. energy: -1.213
local terms energy: -901.569766
where:
bonds (distance) C4'-P energy: -165.136
bonds (distance) P-C4' energy: -166.465
flat angles C4'-P-C4' energy: -181.773
flat angles P-C4'-P energy: -139.602
tors. eta vs tors. theta energy: -248.594
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: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2797.525478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.525478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.823637 (E_RNA)
where:
Base-Base interactions energy: -1935.252
where: short stacking energy: -797.885
Base-Backbone interact. energy: -7.649
local terms energy: -855.922572
where:
bonds (distance) C4'-P energy: -147.675
bonds (distance) P-C4' energy: -168.261
flat angles C4'-P-C4' energy: -180.003
flat angles P-C4'-P energy: -116.316
tors. eta vs tors. theta energy: -243.668
Dist. restrs. and SS energy: 1.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2698.832933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.832933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.294100 (E_RNA)
where:
Base-Base interactions energy: -1851.587
where: short stacking energy: -801.974
Base-Backbone interact. energy: 4.813
local terms energy: -854.520544
where:
bonds (distance) C4'-P energy: -165.716
bonds (distance) P-C4' energy: -154.676
flat angles C4'-P-C4' energy: -175.014
flat angles P-C4'-P energy: -116.713
tors. eta vs tors. theta energy: -242.400
Dist. restrs. and SS energy: 2.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2645.676967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.676967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.844428 (E_RNA)
where:
Base-Base interactions energy: -1823.962
where: short stacking energy: -774.143
Base-Backbone interact. energy: -1.374
local terms energy: -821.508249
where:
bonds (distance) C4'-P energy: -152.085
bonds (distance) P-C4' energy: -137.273
flat angles C4'-P-C4' energy: -179.990
flat angles P-C4'-P energy: -122.394
tors. eta vs tors. theta energy: -229.765
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: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2384.848655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.848655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.019840 (E_RNA)
where:
Base-Base interactions energy: -1619.009
where: short stacking energy: -673.258
Base-Backbone interact. energy: -1.521
local terms energy: -765.489382
where:
bonds (distance) C4'-P energy: -133.333
bonds (distance) P-C4' energy: -150.894
flat angles C4'-P-C4' energy: -173.412
flat angles P-C4'-P energy: -124.640
tors. eta vs tors. theta energy: -183.210
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: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2304.572120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.572120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.502158 (E_RNA)
where:
Base-Base interactions energy: -1593.037
where: short stacking energy: -685.701
Base-Backbone interact. energy: -1.958
local terms energy: -711.507267
where:
bonds (distance) C4'-P energy: -138.893
bonds (distance) P-C4' energy: -135.767
flat angles C4'-P-C4' energy: -156.741
flat angles P-C4'-P energy: -92.998
tors. eta vs tors. theta energy: -187.108
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: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2167.955565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.955565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.676034 (E_RNA)
where:
Base-Base interactions energy: -1467.859
where: short stacking energy: -641.454
Base-Backbone interact. energy: 8.417
local terms energy: -711.233898
where:
bonds (distance) C4'-P energy: -122.383
bonds (distance) P-C4' energy: -137.448
flat angles C4'-P-C4' energy: -162.532
flat angles P-C4'-P energy: -111.757
tors. eta vs tors. theta energy: -177.114
Dist. restrs. and SS energy: 2.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2091.356069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.356069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.667476 (E_RNA)
where:
Base-Base interactions energy: -1424.666
where: short stacking energy: -591.069
Base-Backbone interact. energy: 5.633
local terms energy: -675.634716
where:
bonds (distance) C4'-P energy: -137.862
bonds (distance) P-C4' energy: -147.957
flat angles C4'-P-C4' energy: -150.246
flat angles P-C4'-P energy: -94.934
tors. eta vs tors. theta energy: -144.636
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1924.809461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.809461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.849579 (E_RNA)
where:
Base-Base interactions energy: -1321.219
where: short stacking energy: -557.542
Base-Backbone interact. energy: 2.735
local terms energy: -610.365499
where:
bonds (distance) C4'-P energy: -107.181
bonds (distance) P-C4' energy: -116.449
flat angles C4'-P-C4' energy: -156.679
flat angles P-C4'-P energy: -92.004
tors. eta vs tors. theta energy: -138.053
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: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1868.123594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.123594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.631144 (E_RNA)
where:
Base-Base interactions energy: -1285.321
where: short stacking energy: -515.556
Base-Backbone interact. energy: -0.649
local terms energy: -584.660668
where:
bonds (distance) C4'-P energy: -108.818
bonds (distance) P-C4' energy: -129.866
flat angles C4'-P-C4' energy: -127.052
flat angles P-C4'-P energy: -85.835
tors. eta vs tors. theta energy: -133.089
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2910.049418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.049418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.084908 (E_RNA)
where:
Base-Base interactions energy: -2046.744
where: short stacking energy: -849.353
Base-Backbone interact. energy: -2.656
local terms energy: -862.684865
where:
bonds (distance) C4'-P energy: -145.494
bonds (distance) P-C4' energy: -153.899
flat angles C4'-P-C4' energy: -184.158
flat angles P-C4'-P energy: -136.697
tors. eta vs tors. theta energy: -242.436
Dist. restrs. and SS energy: 2.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2823.948529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.948529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.445732 (E_RNA)
where:
Base-Base interactions energy: -1939.411
where: short stacking energy: -805.348
Base-Backbone interact. energy: -4.371
local terms energy: -882.663402
where:
bonds (distance) C4'-P energy: -153.109
bonds (distance) P-C4' energy: -170.394
flat angles C4'-P-C4' energy: -191.109
flat angles P-C4'-P energy: -132.030
tors. eta vs tors. theta energy: -236.021
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: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2708.052123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.052123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.186442 (E_RNA)
where:
Base-Base interactions energy: -1858.775
where: short stacking energy: -769.873
Base-Backbone interact. energy: -3.306
local terms energy: -847.105334
where:
bonds (distance) C4'-P energy: -162.099
bonds (distance) P-C4' energy: -162.264
flat angles C4'-P-C4' energy: -174.514
flat angles P-C4'-P energy: -122.904
tors. eta vs tors. theta energy: -225.325
Dist. restrs. and SS energy: 1.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2642.258730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.258730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.262732 (E_RNA)
where:
Base-Base interactions energy: -1830.816
where: short stacking energy: -793.631
Base-Backbone interact. energy: 2.000
local terms energy: -816.446482
where:
bonds (distance) C4'-P energy: -147.469
bonds (distance) P-C4' energy: -149.661
flat angles C4'-P-C4' energy: -171.200
flat angles P-C4'-P energy: -112.160
tors. eta vs tors. theta energy: -235.955
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: 436
Temperature: 1.100000
Total energy: -2355.891219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.891219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.536621 (E_RNA)
where:
Base-Base interactions energy: -1665.361
where: short stacking energy: -658.778
Base-Backbone interact. energy: 2.027
local terms energy: -694.203167
where:
bonds (distance) C4'-P energy: -120.268
bonds (distance) P-C4' energy: -148.594
flat angles C4'-P-C4' energy: -137.708
flat angles P-C4'-P energy: -114.541
tors. eta vs tors. theta energy: -173.092
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2289.904008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.904008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.206679 (E_RNA)
where:
Base-Base interactions energy: -1561.943
where: short stacking energy: -638.469
Base-Backbone interact. energy: 0.434
local terms energy: -730.697201
where:
bonds (distance) C4'-P energy: -128.562
bonds (distance) P-C4' energy: -154.308
flat angles C4'-P-C4' energy: -161.878
flat angles P-C4'-P energy: -109.912
tors. eta vs tors. theta energy: -176.037
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2113.556461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.556461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.272551 (E_RNA)
where:
Base-Base interactions energy: -1427.160
where: short stacking energy: -601.579
Base-Backbone interact. energy: 0.699
local terms energy: -691.811944
where:
bonds (distance) C4'-P energy: -112.838
bonds (distance) P-C4' energy: -144.796
flat angles C4'-P-C4' energy: -151.455
flat angles P-C4'-P energy: -105.253
tors. eta vs tors. theta energy: -177.470
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: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2114.346550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.346550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.993497 (E_RNA)
where:
Base-Base interactions energy: -1464.509
where: short stacking energy: -609.719
Base-Backbone interact. energy: 0.963
local terms energy: -654.447330
where:
bonds (distance) C4'-P energy: -130.058
bonds (distance) P-C4' energy: -136.421
flat angles C4'-P-C4' energy: -144.476
flat angles P-C4'-P energy: -84.445
tors. eta vs tors. theta energy: -159.048
Dist. restrs. and SS energy: 3.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1926.196312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.196312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.074745 (E_RNA)
where:
Base-Base interactions energy: -1317.695
where: short stacking energy: -546.893
Base-Backbone interact. energy: -1.646
local terms energy: -609.733800
where:
bonds (distance) C4'-P energy: -140.999
bonds (distance) P-C4' energy: -119.886
flat angles C4'-P-C4' energy: -136.902
flat angles P-C4'-P energy: -84.343
tors. eta vs tors. theta energy: -127.604
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1865.200910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.200910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.301335 (E_RNA)
where:
Base-Base interactions energy: -1268.554
where: short stacking energy: -553.492
Base-Backbone interact. energy: -3.202
local terms energy: -599.544989
where:
bonds (distance) C4'-P energy: -117.021
bonds (distance) P-C4' energy: -142.508
flat angles C4'-P-C4' energy: -146.360
flat angles P-C4'-P energy: -70.254
tors. eta vs tors. theta energy: -123.403
Dist. restrs. and SS energy: 6.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2939.547984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.547984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.036721 (E_RNA)
where:
Base-Base interactions energy: -2055.646
where: short stacking energy: -868.876
Base-Backbone interact. energy: -4.488
local terms energy: -879.902011
where:
bonds (distance) C4'-P energy: -160.176
bonds (distance) P-C4' energy: -157.512
flat angles C4'-P-C4' energy: -182.811
flat angles P-C4'-P energy: -127.340
tors. eta vs tors. theta energy: -252.062
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2811.755250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.755250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.131594 (E_RNA)
where:
Base-Base interactions energy: -1967.307
where: short stacking energy: -805.519
Base-Backbone interact. energy: -1.250
local terms energy: -845.574269
where:
bonds (distance) C4'-P energy: -169.595
bonds (distance) P-C4' energy: -144.474
flat angles C4'-P-C4' energy: -178.095
flat angles P-C4'-P energy: -117.369
tors. eta vs tors. theta energy: -236.041
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2688.362968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.362968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.515774 (E_RNA)
where:
Base-Base interactions energy: -1851.527
where: short stacking energy: -738.042
Base-Backbone interact. energy: 1.249
local terms energy: -839.237754
where:
bonds (distance) C4'-P energy: -160.591
bonds (distance) P-C4' energy: -153.163
flat angles C4'-P-C4' energy: -178.369
flat angles P-C4'-P energy: -121.289
tors. eta vs tors. theta energy: -225.826
Dist. restrs. and SS energy: 1.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2579.708112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.708112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.096475 (E_RNA)
where:
Base-Base interactions energy: -1786.033
where: short stacking energy: -749.779
Base-Backbone interact. energy: -2.924
local terms energy: -793.139099
where:
bonds (distance) C4'-P energy: -144.006
bonds (distance) P-C4' energy: -154.835
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -125.587
tors. eta vs tors. theta energy: -210.003
Dist. restrs. and SS energy: 2.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2391.081657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.081657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.731496 (E_RNA)
where:
Base-Base interactions energy: -1636.722
where: short stacking energy: -714.968
Base-Backbone interact. energy: 3.228
local terms energy: -759.237729
where:
bonds (distance) C4'-P energy: -124.269
bonds (distance) P-C4' energy: -154.509
flat angles C4'-P-C4' energy: -169.598
flat angles P-C4'-P energy: -109.926
tors. eta vs tors. theta energy: -200.936
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2342.706227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.706227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.660444 (E_RNA)
where:
Base-Base interactions energy: -1605.909
where: short stacking energy: -697.687
Base-Backbone interact. energy: -1.090
local terms energy: -737.661414
where:
bonds (distance) C4'-P energy: -122.911
bonds (distance) P-C4' energy: -142.920
flat angles C4'-P-C4' energy: -153.716
flat angles P-C4'-P energy: -120.541
tors. eta vs tors. theta energy: -197.573
Dist. restrs. and SS energy: 1.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2108.549099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.549099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.701355 (E_RNA)
where:
Base-Base interactions energy: -1445.288
where: short stacking energy: -632.125
Base-Backbone interact. energy: -4.291
local terms energy: -662.122828
where:
bonds (distance) C4'-P energy: -152.171
bonds (distance) P-C4' energy: -122.476
flat angles C4'-P-C4' energy: -154.588
flat angles P-C4'-P energy: -74.785
tors. eta vs tors. theta energy: -158.103
Dist. restrs. and SS energy: 3.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2069.862598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.862598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.226871 (E_RNA)
where:
Base-Base interactions energy: -1440.360
where: short stacking energy: -593.345
Base-Backbone interact. energy: 0.249
local terms energy: -632.115635
where:
bonds (distance) C4'-P energy: -136.177
bonds (distance) P-C4' energy: -122.418
flat angles C4'-P-C4' energy: -140.443
flat angles P-C4'-P energy: -86.096
tors. eta vs tors. theta energy: -146.981
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: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1929.776254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.776254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.217383 (E_RNA)
where:
Base-Base interactions energy: -1287.041
where: short stacking energy: -536.661
Base-Backbone interact. energy: -0.705
local terms energy: -644.470992
where:
bonds (distance) C4'-P energy: -132.566
bonds (distance) P-C4' energy: -121.545
flat angles C4'-P-C4' energy: -158.429
flat angles P-C4'-P energy: -91.258
tors. eta vs tors. theta energy: -140.673
Dist. restrs. and SS energy: 2.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1833.056979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.056979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.292158 (E_RNA)
where:
Base-Base interactions energy: -1252.139
where: short stacking energy: -515.950
Base-Backbone interact. energy: 4.152
local terms energy: -588.305238
where:
bonds (distance) C4'-P energy: -113.827
bonds (distance) P-C4' energy: -137.446
flat angles C4'-P-C4' energy: -127.329
flat angles P-C4'-P energy: -87.194
tors. eta vs tors. theta energy: -122.508
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2935.803174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.803174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.360176 (E_RNA)
where:
Base-Base interactions energy: -2049.794
where: short stacking energy: -874.472
Base-Backbone interact. energy: 3.849
local terms energy: -891.415115
where:
bonds (distance) C4'-P energy: -143.794
bonds (distance) P-C4' energy: -168.100
flat angles C4'-P-C4' energy: -183.004
flat angles P-C4'-P energy: -132.790
tors. eta vs tors. theta energy: -263.727
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: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2904.931410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.931410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.158708 (E_RNA)
where:
Base-Base interactions energy: -2066.572
where: short stacking energy: -832.481
Base-Backbone interact. energy: -4.602
local terms energy: -835.984443
where:
bonds (distance) C4'-P energy: -140.759
bonds (distance) P-C4' energy: -146.377
flat angles C4'-P-C4' energy: -172.809
flat angles P-C4'-P energy: -134.165
tors. eta vs tors. theta energy: -241.875
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2709.551480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.551480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.732902 (E_RNA)
where:
Base-Base interactions energy: -1906.837
where: short stacking energy: -779.947
Base-Backbone interact. energy: -3.100
local terms energy: -800.796099
where:
bonds (distance) C4'-P energy: -149.348
bonds (distance) P-C4' energy: -142.722
flat angles C4'-P-C4' energy: -176.971
flat angles P-C4'-P energy: -108.432
tors. eta vs tors. theta energy: -223.323
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: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2630.128462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.128462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.013490 (E_RNA)
where:
Base-Base interactions energy: -1822.273
where: short stacking energy: -736.882
Base-Backbone interact. energy: 1.018
local terms energy: -809.758078
where:
bonds (distance) C4'-P energy: -152.727
bonds (distance) P-C4' energy: -154.734
flat angles C4'-P-C4' energy: -168.118
flat angles P-C4'-P energy: -110.414
tors. eta vs tors. theta energy: -223.764
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: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2450.883454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.883454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.361654 (E_RNA)
where:
Base-Base interactions energy: -1713.854
where: short stacking energy: -708.276
Base-Backbone interact. energy: 1.122
local terms energy: -739.630168
where:
bonds (distance) C4'-P energy: -120.164
bonds (distance) P-C4' energy: -145.200
flat angles C4'-P-C4' energy: -163.814
flat angles P-C4'-P energy: -99.700
tors. eta vs tors. theta energy: -210.752
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2249.777399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.777399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.251123 (E_RNA)
where:
Base-Base interactions energy: -1554.688
where: short stacking energy: -658.972
Base-Backbone interact. energy: 6.883
local terms energy: -704.445861
where:
bonds (distance) C4'-P energy: -124.196
bonds (distance) P-C4' energy: -150.586
flat angles C4'-P-C4' energy: -151.747
flat angles P-C4'-P energy: -101.187
tors. eta vs tors. theta energy: -176.730
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: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2097.215892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.215892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.663905 (E_RNA)
where:
Base-Base interactions energy: -1411.923
where: short stacking energy: -619.818
Base-Backbone interact. energy: -1.550
local terms energy: -685.190656
where:
bonds (distance) C4'-P energy: -139.051
bonds (distance) P-C4' energy: -126.367
flat angles C4'-P-C4' energy: -139.908
flat angles P-C4'-P energy: -109.316
tors. eta vs tors. theta energy: -170.549
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: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2123.327762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.327762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.246055 (E_RNA)
where:
Base-Base interactions energy: -1471.260
where: short stacking energy: -610.069
Base-Backbone interact. energy: -1.523
local terms energy: -653.462309
where:
bonds (distance) C4'-P energy: -125.167
bonds (distance) P-C4' energy: -133.362
flat angles C4'-P-C4' energy: -150.584
flat angles P-C4'-P energy: -94.414
tors. eta vs tors. theta energy: -149.935
Dist. restrs. and SS energy: 2.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1957.602610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.602610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.203773 (E_RNA)
where:
Base-Base interactions energy: -1320.931
where: short stacking energy: -534.289
Base-Backbone interact. energy: -6.103
local terms energy: -632.169638
where:
bonds (distance) C4'-P energy: -132.217
bonds (distance) P-C4' energy: -130.763
flat angles C4'-P-C4' energy: -143.113
flat angles P-C4'-P energy: -82.980
tors. eta vs tors. theta energy: -143.096
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: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1862.917636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.917636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.051086 (E_RNA)
where:
Base-Base interactions energy: -1294.195
where: short stacking energy: -536.174
Base-Backbone interact. energy: 8.273
local terms energy: -579.128800
where:
bonds (distance) C4'-P energy: -145.458
bonds (distance) P-C4' energy: -108.953
flat angles C4'-P-C4' energy: -137.131
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -118.113
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: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2929.636732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.636732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.904944 (E_RNA)
where:
Base-Base interactions energy: -2032.631
where: short stacking energy: -845.359
Base-Backbone interact. energy: -0.102
local terms energy: -898.172527
where:
bonds (distance) C4'-P energy: -171.159
bonds (distance) P-C4' energy: -158.718
flat angles C4'-P-C4' energy: -192.827
flat angles P-C4'-P energy: -127.238
tors. eta vs tors. theta energy: -248.230
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2861.860090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.860090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.983977 (E_RNA)
where:
Base-Base interactions energy: -1998.067
where: short stacking energy: -815.239
Base-Backbone interact. energy: -5.967
local terms energy: -858.950630
where:
bonds (distance) C4'-P energy: -164.035
bonds (distance) P-C4' energy: -156.539
flat angles C4'-P-C4' energy: -187.694
flat angles P-C4'-P energy: -116.594
tors. eta vs tors. theta energy: -234.088
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: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2699.303300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.303300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.271617 (E_RNA)
where:
Base-Base interactions energy: -1856.949
where: short stacking energy: -798.163
Base-Backbone interact. energy: -2.743
local terms energy: -840.579039
where:
bonds (distance) C4'-P energy: -157.895
bonds (distance) P-C4' energy: -155.697
flat angles C4'-P-C4' energy: -183.295
flat angles P-C4'-P energy: -114.296
tors. eta vs tors. theta energy: -229.396
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2610.897313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.897313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.736791 (E_RNA)
where:
Base-Base interactions energy: -1795.139
where: short stacking energy: -753.163
Base-Backbone interact. energy: -2.628
local terms energy: -816.969866
where:
bonds (distance) C4'-P energy: -162.057
bonds (distance) P-C4' energy: -160.628
flat angles C4'-P-C4' energy: -180.532
flat angles P-C4'-P energy: -99.310
tors. eta vs tors. theta energy: -214.442
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: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2450.343175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.343175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.687902 (E_RNA)
where:
Base-Base interactions energy: -1668.133
where: short stacking energy: -708.458
Base-Backbone interact. energy: 0.591
local terms energy: -785.146661
where:
bonds (distance) C4'-P energy: -152.869
bonds (distance) P-C4' energy: -134.957
flat angles C4'-P-C4' energy: -177.162
flat angles P-C4'-P energy: -115.944
tors. eta vs tors. theta energy: -204.215
Dist. restrs. and SS energy: 2.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2262.934289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.934289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.356024 (E_RNA)
where:
Base-Base interactions energy: -1537.352
where: short stacking energy: -646.787
Base-Backbone interact. energy: -2.992
local terms energy: -725.011822
where:
bonds (distance) C4'-P energy: -135.237
bonds (distance) P-C4' energy: -143.906
flat angles C4'-P-C4' energy: -152.320
flat angles P-C4'-P energy: -104.825
tors. eta vs tors. theta energy: -188.725
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2076.904406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.904406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.386259 (E_RNA)
where:
Base-Base interactions energy: -1400.623
where: short stacking energy: -601.911
Base-Backbone interact. energy: 7.215
local terms energy: -685.979059
where:
bonds (distance) C4'-P energy: -130.232
bonds (distance) P-C4' energy: -124.217
flat angles C4'-P-C4' energy: -162.300
flat angles P-C4'-P energy: -111.601
tors. eta vs tors. theta energy: -157.630
Dist. restrs. and SS energy: 2.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -2101.295187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.295187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.444005 (E_RNA)
where:
Base-Base interactions energy: -1425.769
where: short stacking energy: -612.368
Base-Backbone interact. energy: 0.500
local terms energy: -678.174969
where:
bonds (distance) C4'-P energy: -110.820
bonds (distance) P-C4' energy: -134.186
flat angles C4'-P-C4' energy: -162.066
flat angles P-C4'-P energy: -101.656
tors. eta vs tors. theta energy: -169.446
Dist. restrs. and SS energy: 2.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1940.846402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.846402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.847278 (E_RNA)
where:
Base-Base interactions energy: -1313.405
where: short stacking energy: -552.267
Base-Backbone interact. energy: 1.483
local terms energy: -631.924997
where:
bonds (distance) C4'-P energy: -138.673
bonds (distance) P-C4' energy: -110.097
flat angles C4'-P-C4' energy: -133.306
flat angles P-C4'-P energy: -100.262
tors. eta vs tors. theta energy: -149.587
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1904.749804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.749804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.240554 (E_RNA)
where:
Base-Base interactions energy: -1294.412
where: short stacking energy: -554.009
Base-Backbone interact. energy: 8.541
local terms energy: -622.368972
where:
bonds (distance) C4'-P energy: -138.412
bonds (distance) P-C4' energy: -137.196
flat angles C4'-P-C4' energy: -125.232
flat angles P-C4'-P energy: -81.208
tors. eta vs tors. theta energy: -140.322
Dist. restrs. and SS energy: 3.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2932.790548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.790548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.030771 (E_RNA)
where:
Base-Base interactions energy: -2043.191
where: short stacking energy: -857.488
Base-Backbone interact. energy: -3.308
local terms energy: -887.531214
where:
bonds (distance) C4'-P energy: -150.739
bonds (distance) P-C4' energy: -171.045
flat angles C4'-P-C4' energy: -192.770
flat angles P-C4'-P energy: -128.731
tors. eta vs tors. theta energy: -244.246
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: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2891.555302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.555302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.084430 (E_RNA)
where:
Base-Base interactions energy: -2015.975
where: short stacking energy: -845.595
Base-Backbone interact. energy: -2.504
local terms energy: -874.606040
where:
bonds (distance) C4'-P energy: -160.689
bonds (distance) P-C4' energy: -160.165
flat angles C4'-P-C4' energy: -194.264
flat angles P-C4'-P energy: -118.056
tors. eta vs tors. theta energy: -241.433
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: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2712.610300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.610300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.485253 (E_RNA)
where:
Base-Base interactions energy: -1864.893
where: short stacking energy: -811.803
Base-Backbone interact. energy: -3.191
local terms energy: -847.400577
where:
bonds (distance) C4'-P energy: -144.809
bonds (distance) P-C4' energy: -155.723
flat angles C4'-P-C4' energy: -180.995
flat angles P-C4'-P energy: -124.583
tors. eta vs tors. theta energy: -241.291
Dist. restrs. and SS energy: 2.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2576.575792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.575792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.194500 (E_RNA)
where:
Base-Base interactions energy: -1773.689
where: short stacking energy: -746.542
Base-Backbone interact. energy: -3.148
local terms energy: -803.357815
where:
bonds (distance) C4'-P energy: -153.141
bonds (distance) P-C4' energy: -150.286
flat angles C4'-P-C4' energy: -176.494
flat angles P-C4'-P energy: -93.097
tors. eta vs tors. theta energy: -230.340
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: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2427.322099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.322099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.162126 (E_RNA)
where:
Base-Base interactions energy: -1667.701
where: short stacking energy: -703.364
Base-Backbone interact. energy: -2.069
local terms energy: -759.392161
where:
bonds (distance) C4'-P energy: -139.281
bonds (distance) P-C4' energy: -143.337
flat angles C4'-P-C4' energy: -175.171
flat angles P-C4'-P energy: -102.672
tors. eta vs tors. theta energy: -198.931
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2247.797809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.797809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.661099 (E_RNA)
where:
Base-Base interactions energy: -1530.588
where: short stacking energy: -648.663
Base-Backbone interact. energy: 1.248
local terms energy: -720.321189
where:
bonds (distance) C4'-P energy: -145.711
bonds (distance) P-C4' energy: -152.369
flat angles C4'-P-C4' energy: -163.270
flat angles P-C4'-P energy: -78.319
tors. eta vs tors. theta energy: -180.653
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: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2059.863661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.863661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.101365 (E_RNA)
where:
Base-Base interactions energy: -1412.101
where: short stacking energy: -601.139
Base-Backbone interact. energy: 4.916
local terms energy: -654.916270
where:
bonds (distance) C4'-P energy: -121.128
bonds (distance) P-C4' energy: -112.168
flat angles C4'-P-C4' energy: -154.869
flat angles P-C4'-P energy: -100.418
tors. eta vs tors. theta energy: -166.334
Dist. restrs. and SS energy: 2.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -2050.350094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.350094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.402860 (E_RNA)
where:
Base-Base interactions energy: -1400.426
where: short stacking energy: -571.917
Base-Backbone interact. energy: -4.237
local terms energy: -648.739230
where:
bonds (distance) C4'-P energy: -123.315
bonds (distance) P-C4' energy: -131.835
flat angles C4'-P-C4' energy: -133.908
flat angles P-C4'-P energy: -101.214
tors. eta vs tors. theta energy: -158.467
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1927.064395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.064395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.030514 (E_RNA)
where:
Base-Base interactions energy: -1333.108
where: short stacking energy: -556.170
Base-Backbone interact. energy: -3.283
local terms energy: -592.639698
where:
bonds (distance) C4'-P energy: -112.437
bonds (distance) P-C4' energy: -132.850
flat angles C4'-P-C4' energy: -118.249
flat angles P-C4'-P energy: -91.514
tors. eta vs tors. theta energy: -137.591
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: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1854.234840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.234840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.970684 (E_RNA)
where:
Base-Base interactions energy: -1272.546
where: short stacking energy: -527.886
Base-Backbone interact. energy: -1.048
local terms energy: -584.377035
where:
bonds (distance) C4'-P energy: -136.249
bonds (distance) P-C4' energy: -107.904
flat angles C4'-P-C4' energy: -129.736
flat angles P-C4'-P energy: -93.049
tors. eta vs tors. theta energy: -117.439
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2929.458412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.458412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.114351 (E_RNA)
where:
Base-Base interactions energy: -2046.288
where: short stacking energy: -840.048
Base-Backbone interact. energy: -2.287
local terms energy: -882.538868
where:
bonds (distance) C4'-P energy: -158.729
bonds (distance) P-C4' energy: -172.504
flat angles C4'-P-C4' energy: -183.591
flat angles P-C4'-P energy: -123.371
tors. eta vs tors. theta energy: -244.344
Dist. restrs. and SS energy: 1.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2827.108597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.108597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.392198 (E_RNA)
where:
Base-Base interactions energy: -1995.429
where: short stacking energy: -786.829
Base-Backbone interact. energy: -5.545
local terms energy: -827.418406
where:
bonds (distance) C4'-P energy: -147.460
bonds (distance) P-C4' energy: -138.850
flat angles C4'-P-C4' energy: -183.693
flat angles P-C4'-P energy: -138.091
tors. eta vs tors. theta energy: -219.325
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: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2665.232088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.232088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.399661 (E_RNA)
where:
Base-Base interactions energy: -1847.437
where: short stacking energy: -781.842
Base-Backbone interact. energy: -3.152
local terms energy: -815.811225
where:
bonds (distance) C4'-P energy: -157.464
bonds (distance) P-C4' energy: -147.660
flat angles C4'-P-C4' energy: -164.282
flat angles P-C4'-P energy: -112.740
tors. eta vs tors. theta energy: -233.665
Dist. restrs. and SS energy: 1.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2586.016958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.016958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.798029 (E_RNA)
where:
Base-Base interactions energy: -1824.571
where: short stacking energy: -782.645
Base-Backbone interact. energy: 0.776
local terms energy: -765.003646
where:
bonds (distance) C4'-P energy: -132.180
bonds (distance) P-C4' energy: -140.611
flat angles C4'-P-C4' energy: -162.971
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -228.888
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: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2439.741256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.741256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.171256 (E_RNA)
where:
Base-Base interactions energy: -1692.856
where: short stacking energy: -731.510
Base-Backbone interact. energy: -1.614
local terms energy: -746.701833
where:
bonds (distance) C4'-P energy: -136.624
bonds (distance) P-C4' energy: -131.786
flat angles C4'-P-C4' energy: -168.344
flat angles P-C4'-P energy: -105.620
tors. eta vs tors. theta energy: -204.326
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: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2275.343125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.343125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.193669 (E_RNA)
where:
Base-Base interactions energy: -1533.250
where: short stacking energy: -663.991
Base-Backbone interact. energy: -3.195
local terms energy: -741.748688
where:
bonds (distance) C4'-P energy: -130.996
bonds (distance) P-C4' energy: -144.174
flat angles C4'-P-C4' energy: -163.448
flat angles P-C4'-P energy: -107.159
tors. eta vs tors. theta energy: -195.971
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2062.238852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.238852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.731040 (E_RNA)
where:
Base-Base interactions energy: -1411.297
where: short stacking energy: -606.213
Base-Backbone interact. energy: -4.096
local terms energy: -649.337914
where:
bonds (distance) C4'-P energy: -117.758
bonds (distance) P-C4' energy: -149.495
flat angles C4'-P-C4' energy: -148.268
flat angles P-C4'-P energy: -83.012
tors. eta vs tors. theta energy: -150.806
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: 441
Temperature: 1.250000
Total energy: -2020.758099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.758099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.268539 (E_RNA)
where:
Base-Base interactions energy: -1351.486
where: short stacking energy: -551.517
Base-Backbone interact. energy: -4.334
local terms energy: -670.447925
where:
bonds (distance) C4'-P energy: -129.816
bonds (distance) P-C4' energy: -140.607
flat angles C4'-P-C4' energy: -145.312
flat angles P-C4'-P energy: -96.210
tors. eta vs tors. theta energy: -158.503
Dist. restrs. and SS energy: 5.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1904.211397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.211397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.218206 (E_RNA)
where:
Base-Base interactions energy: -1292.906
where: short stacking energy: -549.214
Base-Backbone interact. energy: -4.201
local terms energy: -612.110959
where:
bonds (distance) C4'-P energy: -112.861
bonds (distance) P-C4' energy: -126.380
flat angles C4'-P-C4' energy: -154.793
flat angles P-C4'-P energy: -89.898
tors. eta vs tors. theta energy: -128.179
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1902.194834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.194834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.798461 (E_RNA)
where:
Base-Base interactions energy: -1315.812
where: short stacking energy: -566.577
Base-Backbone interact. energy: -2.830
local terms energy: -586.156287
where:
bonds (distance) C4'-P energy: -120.448
bonds (distance) P-C4' energy: -121.637
flat angles C4'-P-C4' energy: -129.509
flat angles P-C4'-P energy: -80.042
tors. eta vs tors. theta energy: -134.520
Dist. restrs. and SS energy: 2.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2895.307718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.307718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.720186 (E_RNA)
where:
Base-Base interactions energy: -2014.271
where: short stacking energy: -823.961
Base-Backbone interact. energy: -3.312
local terms energy: -879.136648
where:
bonds (distance) C4'-P energy: -165.554
bonds (distance) P-C4' energy: -161.562
flat angles C4'-P-C4' energy: -190.865
flat angles P-C4'-P energy: -118.698
tors. eta vs tors. theta energy: -242.457
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2818.676473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.676473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.947495 (E_RNA)
where:
Base-Base interactions energy: -1942.244
where: short stacking energy: -816.400
Base-Backbone interact. energy: -4.457
local terms energy: -874.246193
where:
bonds (distance) C4'-P energy: -142.866
bonds (distance) P-C4' energy: -168.628
flat angles C4'-P-C4' energy: -189.306
flat angles P-C4'-P energy: -133.746
tors. eta vs tors. theta energy: -239.700
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: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2691.078010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.078010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.173149 (E_RNA)
where:
Base-Base interactions energy: -1858.814
where: short stacking energy: -780.254
Base-Backbone interact. energy: 6.327
local terms energy: -839.686468
where:
bonds (distance) C4'-P energy: -165.238
bonds (distance) P-C4' energy: -132.684
flat angles C4'-P-C4' energy: -177.899
flat angles P-C4'-P energy: -132.475
tors. eta vs tors. theta energy: -231.390
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: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2570.498796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.498796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.241962 (E_RNA)
where:
Base-Base interactions energy: -1768.167
where: short stacking energy: -752.963
Base-Backbone interact. energy: -2.999
local terms energy: -801.075832
where:
bonds (distance) C4'-P energy: -147.203
bonds (distance) P-C4' energy: -137.585
flat angles C4'-P-C4' energy: -164.960
flat angles P-C4'-P energy: -120.161
tors. eta vs tors. theta energy: -231.167
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: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2416.752847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.752847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.805385 (E_RNA)
where:
Base-Base interactions energy: -1690.316
where: short stacking energy: -719.668
Base-Backbone interact. energy: -2.178
local terms energy: -728.311870
where:
bonds (distance) C4'-P energy: -136.394
bonds (distance) P-C4' energy: -136.315
flat angles C4'-P-C4' energy: -158.006
flat angles P-C4'-P energy: -101.249
tors. eta vs tors. theta energy: -196.347
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: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2326.342776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.342776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.332304 (E_RNA)
where:
Base-Base interactions energy: -1586.573
where: short stacking energy: -680.331
Base-Backbone interact. energy: -0.339
local terms energy: -741.421016
where:
bonds (distance) C4'-P energy: -142.710
bonds (distance) P-C4' energy: -145.659
flat angles C4'-P-C4' energy: -149.723
flat angles P-C4'-P energy: -96.409
tors. eta vs tors. theta energy: -206.920
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2056.031935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.031935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.065822 (E_RNA)
where:
Base-Base interactions energy: -1405.456
where: short stacking energy: -575.444
Base-Backbone interact. energy: -1.433
local terms energy: -652.176808
where:
bonds (distance) C4'-P energy: -136.609
bonds (distance) P-C4' energy: -120.564
flat angles C4'-P-C4' energy: -161.249
flat angles P-C4'-P energy: -89.918
tors. eta vs tors. theta energy: -143.836
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: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2000.451349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.451349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.789381 (E_RNA)
where:
Base-Base interactions energy: -1334.343
where: short stacking energy: -557.740
Base-Backbone interact. energy: -1.150
local terms energy: -666.296998
where:
bonds (distance) C4'-P energy: -134.261
bonds (distance) P-C4' energy: -154.065
flat angles C4'-P-C4' energy: -135.860
flat angles P-C4'-P energy: -95.495
tors. eta vs tors. theta energy: -146.616
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1842.545127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.545127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.866575 (E_RNA)
where:
Base-Base interactions energy: -1232.686
where: short stacking energy: -530.521
Base-Backbone interact. energy: 5.431
local terms energy: -620.611242
where:
bonds (distance) C4'-P energy: -130.423
bonds (distance) P-C4' energy: -130.239
flat angles C4'-P-C4' energy: -143.968
flat angles P-C4'-P energy: -82.485
tors. eta vs tors. theta energy: -133.497
Dist. restrs. and SS energy: 5.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1845.442164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.442164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.834347 (E_RNA)
where:
Base-Base interactions energy: -1253.559
where: short stacking energy: -519.352
Base-Backbone interact. energy: 2.118
local terms energy: -597.393973
where:
bonds (distance) C4'-P energy: -109.641
bonds (distance) P-C4' energy: -154.669
flat angles C4'-P-C4' energy: -128.477
flat angles P-C4'-P energy: -76.120
tors. eta vs tors. theta energy: -128.488
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: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2907.870948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.870948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.110652 (E_RNA)
where:
Base-Base interactions energy: -2038.187
where: short stacking energy: -834.628
Base-Backbone interact. energy: -0.906
local terms energy: -870.017771
where:
bonds (distance) C4'-P energy: -150.244
bonds (distance) P-C4' energy: -165.882
flat angles C4'-P-C4' energy: -179.189
flat angles P-C4'-P energy: -127.411
tors. eta vs tors. theta energy: -247.292
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2825.633845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.633845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.227492 (E_RNA)
where:
Base-Base interactions energy: -1966.401
where: short stacking energy: -828.270
Base-Backbone interact. energy: -1.409
local terms energy: -859.417798
where:
bonds (distance) C4'-P energy: -147.021
bonds (distance) P-C4' energy: -143.601
flat angles C4'-P-C4' energy: -193.634
flat angles P-C4'-P energy: -128.544
tors. eta vs tors. theta energy: -246.618
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: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2685.112681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.112681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.473954 (E_RNA)
where:
Base-Base interactions energy: -1877.334
where: short stacking energy: -777.686
Base-Backbone interact. energy: 4.103
local terms energy: -813.242879
where:
bonds (distance) C4'-P energy: -163.210
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -160.313
flat angles P-C4'-P energy: -109.935
tors. eta vs tors. theta energy: -226.537
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2608.594556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.594556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.670215 (E_RNA)
where:
Base-Base interactions energy: -1776.135
where: short stacking energy: -772.636
Base-Backbone interact. energy: 0.582
local terms energy: -835.116992
where:
bonds (distance) C4'-P energy: -151.515
bonds (distance) P-C4' energy: -164.167
flat angles C4'-P-C4' energy: -164.180
flat angles P-C4'-P energy: -116.299
tors. eta vs tors. theta energy: -238.956
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2427.856799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.856799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.635936 (E_RNA)
where:
Base-Base interactions energy: -1687.525
where: short stacking energy: -712.021
Base-Backbone interact. energy: -2.604
local terms energy: -741.507218
where:
bonds (distance) C4'-P energy: -142.187
bonds (distance) P-C4' energy: -140.923
flat angles C4'-P-C4' energy: -160.475
flat angles P-C4'-P energy: -103.468
tors. eta vs tors. theta energy: -194.455
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: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2302.593707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.593707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.817665 (E_RNA)
where:
Base-Base interactions energy: -1578.984
where: short stacking energy: -667.842
Base-Backbone interact. energy: -1.895
local terms energy: -722.938350
where:
bonds (distance) C4'-P energy: -134.853
bonds (distance) P-C4' energy: -154.335
flat angles C4'-P-C4' energy: -152.115
flat angles P-C4'-P energy: -106.004
tors. eta vs tors. theta energy: -175.631
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: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2099.622667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.622667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.083135 (E_RNA)
where:
Base-Base interactions energy: -1453.196
where: short stacking energy: -606.405
Base-Backbone interact. energy: 3.440
local terms energy: -655.327301
where:
bonds (distance) C4'-P energy: -132.265
bonds (distance) P-C4' energy: -137.338
flat angles C4'-P-C4' energy: -147.594
flat angles P-C4'-P energy: -83.083
tors. eta vs tors. theta energy: -155.047
Dist. restrs. and SS energy: 5.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2002.305032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.305032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.688624 (E_RNA)
where:
Base-Base interactions energy: -1341.604
where: short stacking energy: -561.102
Base-Backbone interact. energy: 0.275
local terms energy: -664.359499
where:
bonds (distance) C4'-P energy: -132.485
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -145.811
flat angles P-C4'-P energy: -108.088
tors. eta vs tors. theta energy: -154.694
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1903.019978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.019978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.036452 (E_RNA)
where:
Base-Base interactions energy: -1285.413
where: short stacking energy: -537.565
Base-Backbone interact. energy: -2.318
local terms energy: -619.305701
where:
bonds (distance) C4'-P energy: -115.563
bonds (distance) P-C4' energy: -127.917
flat angles C4'-P-C4' energy: -133.901
flat angles P-C4'-P energy: -92.786
tors. eta vs tors. theta energy: -149.138
Dist. restrs. and SS energy: 4.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1856.201400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.201400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.824384 (E_RNA)
where:
Base-Base interactions energy: -1247.607
where: short stacking energy: -496.736
Base-Backbone interact. energy: 3.747
local terms energy: -615.964007
where:
bonds (distance) C4'-P energy: -123.771
bonds (distance) P-C4' energy: -128.839
flat angles C4'-P-C4' energy: -148.748
flat angles P-C4'-P energy: -97.997
tors. eta vs tors. theta energy: -116.610
Dist. restrs. and SS energy: 3.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2936.136184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.136184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.909490 (E_RNA)
where:
Base-Base interactions energy: -2070.656
where: short stacking energy: -844.502
Base-Backbone interact. energy: -5.157
local terms energy: -861.096597
where:
bonds (distance) C4'-P energy: -148.685
bonds (distance) P-C4' energy: -163.620
flat angles C4'-P-C4' energy: -187.943
flat angles P-C4'-P energy: -113.910
tors. eta vs tors. theta energy: -246.939
Dist. restrs. and SS energy: 0.773 (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: 444
Temperature: 0.950000
Total energy: -2875.808286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.808286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.540700 (E_RNA)
where:
Base-Base interactions energy: -2016.305
where: short stacking energy: -847.237
Base-Backbone interact. energy: -1.509
local terms energy: -859.726865
where:
bonds (distance) C4'-P energy: -161.791
bonds (distance) P-C4' energy: -167.313
flat angles C4'-P-C4' energy: -175.023
flat angles P-C4'-P energy: -103.064
tors. eta vs tors. theta energy: -252.535
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: 444
Temperature: 1.000000
Total energy: -2654.938827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.938827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.068993 (E_RNA)
where:
Base-Base interactions energy: -1845.061
where: short stacking energy: -791.444
Base-Backbone interact. energy: -2.370
local terms energy: -809.638349
where:
bonds (distance) C4'-P energy: -148.166
bonds (distance) P-C4' energy: -147.586
flat angles C4'-P-C4' energy: -183.513
flat angles P-C4'-P energy: -103.128
tors. eta vs tors. theta energy: -227.245
Dist. restrs. and SS energy: 2.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2557.831604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.831604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.876082 (E_RNA)
where:
Base-Base interactions energy: -1762.854
where: short stacking energy: -745.754
Base-Backbone interact. energy: -0.145
local terms energy: -796.876592
where:
bonds (distance) C4'-P energy: -139.501
bonds (distance) P-C4' energy: -128.336
flat angles C4'-P-C4' energy: -183.584
flat angles P-C4'-P energy: -124.038
tors. eta vs tors. theta energy: -221.419
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: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2429.302086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.302086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.041954 (E_RNA)
where:
Base-Base interactions energy: -1688.132
where: short stacking energy: -717.418
Base-Backbone interact. energy: -1.196
local terms energy: -743.714398
where:
bonds (distance) C4'-P energy: -127.480
bonds (distance) P-C4' energy: -141.779
flat angles C4'-P-C4' energy: -173.800
flat angles P-C4'-P energy: -99.128
tors. eta vs tors. theta energy: -201.528
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2222.080810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.080810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.501772 (E_RNA)
where:
Base-Base interactions energy: -1529.130
where: short stacking energy: -648.373
Base-Backbone interact. energy: 0.477
local terms energy: -695.849013
where:
bonds (distance) C4'-P energy: -140.567
bonds (distance) P-C4' energy: -135.029
flat angles C4'-P-C4' energy: -156.089
flat angles P-C4'-P energy: -95.070
tors. eta vs tors. theta energy: -169.094
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2115.083416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.083416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.693982 (E_RNA)
where:
Base-Base interactions energy: -1449.301
where: short stacking energy: -590.596
Base-Backbone interact. energy: -2.066
local terms energy: -667.327306
where:
bonds (distance) C4'-P energy: -126.100
bonds (distance) P-C4' energy: -128.157
flat angles C4'-P-C4' energy: -138.987
flat angles P-C4'-P energy: -96.834
tors. eta vs tors. theta energy: -177.250
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: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2042.702745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.702745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.952213 (E_RNA)
where:
Base-Base interactions energy: -1345.367
where: short stacking energy: -582.842
Base-Backbone interact. energy: -1.007
local terms energy: -701.577884
where:
bonds (distance) C4'-P energy: -133.360
bonds (distance) P-C4' energy: -136.605
flat angles C4'-P-C4' energy: -144.203
flat angles P-C4'-P energy: -116.904
tors. eta vs tors. theta energy: -170.506
Dist. restrs. and SS energy: 5.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1954.832380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.832380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.893531 (E_RNA)
where:
Base-Base interactions energy: -1323.650
where: short stacking energy: -548.220
Base-Backbone interact. energy: 5.230
local terms energy: -639.473198
where:
bonds (distance) C4'-P energy: -129.116
bonds (distance) P-C4' energy: -136.183
flat angles C4'-P-C4' energy: -136.388
flat angles P-C4'-P energy: -94.891
tors. eta vs tors. theta energy: -142.895
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1888.176639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.176639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.345367 (E_RNA)
where:
Base-Base interactions energy: -1274.888
where: short stacking energy: -539.798
Base-Backbone interact. energy: 8.070
local terms energy: -625.527237
where:
bonds (distance) C4'-P energy: -120.439
bonds (distance) P-C4' energy: -128.926
flat angles C4'-P-C4' energy: -143.351
flat angles P-C4'-P energy: -88.886
tors. eta vs tors. theta energy: -143.925
Dist. restrs. and SS energy: 4.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2912.340922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.340922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.092344 (E_RNA)
where:
Base-Base interactions energy: -2055.763
where: short stacking energy: -835.922
Base-Backbone interact. energy: -0.667
local terms energy: -857.662442
where:
bonds (distance) C4'-P energy: -163.515
bonds (distance) P-C4' energy: -149.450
flat angles C4'-P-C4' energy: -180.559
flat angles P-C4'-P energy: -118.313
tors. eta vs tors. theta energy: -245.825
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: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2860.191530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.191530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.137196 (E_RNA)
where:
Base-Base interactions energy: -1994.687
where: short stacking energy: -843.027
Base-Backbone interact. energy: -1.033
local terms energy: -867.416559
where:
bonds (distance) C4'-P energy: -157.797
bonds (distance) P-C4' energy: -152.549
flat angles C4'-P-C4' energy: -181.644
flat angles P-C4'-P energy: -122.672
tors. eta vs tors. theta energy: -252.753
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2669.899505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.899505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.921270 (E_RNA)
where:
Base-Base interactions energy: -1816.863
where: short stacking energy: -760.925
Base-Backbone interact. energy: -2.553
local terms energy: -852.505889
where:
bonds (distance) C4'-P energy: -181.507
bonds (distance) P-C4' energy: -155.529
flat angles C4'-P-C4' energy: -169.885
flat angles P-C4'-P energy: -116.577
tors. eta vs tors. theta energy: -229.007
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2580.336064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.336064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.713310 (E_RNA)
where:
Base-Base interactions energy: -1764.132
where: short stacking energy: -762.175
Base-Backbone interact. energy: -2.818
local terms energy: -814.763866
where:
bonds (distance) C4'-P energy: -141.453
bonds (distance) P-C4' energy: -150.757
flat angles C4'-P-C4' energy: -176.219
flat angles P-C4'-P energy: -113.947
tors. eta vs tors. theta energy: -232.388
Dist. restrs. and SS energy: 1.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2433.086286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.086286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.951465 (E_RNA)
where:
Base-Base interactions energy: -1666.380
where: short stacking energy: -723.575
Base-Backbone interact. energy: -1.872
local terms energy: -766.699673
where:
bonds (distance) C4'-P energy: -127.841
bonds (distance) P-C4' energy: -144.247
flat angles C4'-P-C4' energy: -168.749
flat angles P-C4'-P energy: -118.770
tors. eta vs tors. theta energy: -207.093
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: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2259.796062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.796062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.143579 (E_RNA)
where:
Base-Base interactions energy: -1538.676
where: short stacking energy: -629.787
Base-Backbone interact. energy: 1.060
local terms energy: -725.527164
where:
bonds (distance) C4'-P energy: -151.367
bonds (distance) P-C4' energy: -144.857
flat angles C4'-P-C4' energy: -150.355
flat angles P-C4'-P energy: -99.138
tors. eta vs tors. theta energy: -179.811
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: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2112.519224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.519224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.347413 (E_RNA)
where:
Base-Base interactions energy: -1463.560
where: short stacking energy: -600.849
Base-Backbone interact. energy: 0.211
local terms energy: -652.998816
where:
bonds (distance) C4'-P energy: -139.851
bonds (distance) P-C4' energy: -125.471
flat angles C4'-P-C4' energy: -150.404
flat angles P-C4'-P energy: -86.774
tors. eta vs tors. theta energy: -150.499
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: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -2005.307250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.307250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.366427 (E_RNA)
where:
Base-Base interactions energy: -1371.853
where: short stacking energy: -600.202
Base-Backbone interact. energy: -0.435
local terms energy: -637.078416
where:
bonds (distance) C4'-P energy: -98.477
bonds (distance) P-C4' energy: -127.302
flat angles C4'-P-C4' energy: -163.045
flat angles P-C4'-P energy: -96.175
tors. eta vs tors. theta energy: -152.080
Dist. restrs. and SS energy: 4.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1930.549482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.549482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.497886 (E_RNA)
where:
Base-Base interactions energy: -1342.216
where: short stacking energy: -538.620
Base-Backbone interact. energy: -2.539
local terms energy: -588.743007
where:
bonds (distance) C4'-P energy: -130.586
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -127.817
flat angles P-C4'-P energy: -86.858
tors. eta vs tors. theta energy: -144.721
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: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1842.383555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.383555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.800745 (E_RNA)
where:
Base-Base interactions energy: -1235.780
where: short stacking energy: -510.480
Base-Backbone interact. energy: 5.852
local terms energy: -619.872656
where:
bonds (distance) C4'-P energy: -117.248
bonds (distance) P-C4' energy: -131.410
flat angles C4'-P-C4' energy: -144.286
flat angles P-C4'-P energy: -95.956
tors. eta vs tors. theta energy: -130.972
Dist. restrs. and SS energy: 7.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2935.956516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.956516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.498505 (E_RNA)
where:
Base-Base interactions energy: -2051.508
where: short stacking energy: -825.183
Base-Backbone interact. energy: -3.068
local terms energy: -882.922851
where:
bonds (distance) C4'-P energy: -159.477
bonds (distance) P-C4' energy: -160.475
flat angles C4'-P-C4' energy: -183.053
flat angles P-C4'-P energy: -130.353
tors. eta vs tors. theta energy: -249.564
Dist. restrs. and SS energy: 1.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2839.872830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.872830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.405323 (E_RNA)
where:
Base-Base interactions energy: -1969.195
where: short stacking energy: -809.281
Base-Backbone interact. energy: 3.296
local terms energy: -875.506284
where:
bonds (distance) C4'-P energy: -155.871
bonds (distance) P-C4' energy: -173.767
flat angles C4'-P-C4' energy: -183.684
flat angles P-C4'-P energy: -118.393
tors. eta vs tors. theta energy: -243.792
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: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2657.123688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.123688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.845390 (E_RNA)
where:
Base-Base interactions energy: -1847.548
where: short stacking energy: -762.298
Base-Backbone interact. energy: -4.708
local terms energy: -806.589306
where:
bonds (distance) C4'-P energy: -153.034
bonds (distance) P-C4' energy: -159.454
flat angles C4'-P-C4' energy: -167.794
flat angles P-C4'-P energy: -110.379
tors. eta vs tors. theta energy: -215.929
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: 446
Temperature: 1.050000
Total energy: -2651.944700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.944700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.319717 (E_RNA)
where:
Base-Base interactions energy: -1830.485
where: short stacking energy: -766.325
Base-Backbone interact. energy: 1.583
local terms energy: -824.417385
where:
bonds (distance) C4'-P energy: -127.441
bonds (distance) P-C4' energy: -156.809
flat angles C4'-P-C4' energy: -182.576
flat angles P-C4'-P energy: -124.181
tors. eta vs tors. theta energy: -233.411
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: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2403.824794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.824794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.943826 (E_RNA)
where:
Base-Base interactions energy: -1643.074
where: short stacking energy: -698.598
Base-Backbone interact. energy: -4.880
local terms energy: -757.989914
where:
bonds (distance) C4'-P energy: -156.982
bonds (distance) P-C4' energy: -141.524
flat angles C4'-P-C4' energy: -157.824
flat angles P-C4'-P energy: -100.702
tors. eta vs tors. theta energy: -200.958
Dist. restrs. and SS energy: 2.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2240.905282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.905282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.568737 (E_RNA)
where:
Base-Base interactions energy: -1548.497
where: short stacking energy: -670.875
Base-Backbone interact. energy: 3.486
local terms energy: -698.557021
where:
bonds (distance) C4'-P energy: -139.002
bonds (distance) P-C4' energy: -134.125
flat angles C4'-P-C4' energy: -151.910
flat angles P-C4'-P energy: -99.376
tors. eta vs tors. theta energy: -174.143
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2163.052838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.052838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.776060 (E_RNA)
where:
Base-Base interactions energy: -1467.235
where: short stacking energy: -612.172
Base-Backbone interact. energy: -1.500
local terms energy: -696.041121
where:
bonds (distance) C4'-P energy: -128.554
bonds (distance) P-C4' energy: -142.010
flat angles C4'-P-C4' energy: -164.967
flat angles P-C4'-P energy: -98.843
tors. eta vs tors. theta energy: -161.666
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2047.004689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.004689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.866232 (E_RNA)
where:
Base-Base interactions energy: -1374.541
where: short stacking energy: -588.830
Base-Backbone interact. energy: -2.562
local terms energy: -672.763772
where:
bonds (distance) C4'-P energy: -119.219
bonds (distance) P-C4' energy: -145.368
flat angles C4'-P-C4' energy: -158.645
flat angles P-C4'-P energy: -84.006
tors. eta vs tors. theta energy: -165.527
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: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1931.649826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.649826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.934808 (E_RNA)
where:
Base-Base interactions energy: -1319.314
where: short stacking energy: -580.445
Base-Backbone interact. energy: -5.241
local terms energy: -610.379774
where:
bonds (distance) C4'-P energy: -119.193
bonds (distance) P-C4' energy: -113.397
flat angles C4'-P-C4' energy: -157.075
flat angles P-C4'-P energy: -84.484
tors. eta vs tors. theta energy: -136.231
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: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1840.186426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.186426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.876513 (E_RNA)
where:
Base-Base interactions energy: -1272.736
where: short stacking energy: -520.707
Base-Backbone interact. energy: 1.111
local terms energy: -572.251814
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -124.956
flat angles C4'-P-C4' energy: -120.735
flat angles P-C4'-P energy: -73.392
tors. eta vs tors. theta energy: -129.991
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2917.520130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.520130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.244932 (E_RNA)
where:
Base-Base interactions energy: -2029.583
where: short stacking energy: -836.663
Base-Backbone interact. energy: -1.758
local terms energy: -886.904487
where:
bonds (distance) C4'-P energy: -163.577
bonds (distance) P-C4' energy: -174.247
flat angles C4'-P-C4' energy: -179.618
flat angles P-C4'-P energy: -121.223
tors. eta vs tors. theta energy: -248.240
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2837.718430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.718430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.960349 (E_RNA)
where:
Base-Base interactions energy: -1992.463
where: short stacking energy: -835.128
Base-Backbone interact. energy: -4.920
local terms energy: -841.577604
where:
bonds (distance) C4'-P energy: -146.213
bonds (distance) P-C4' energy: -161.787
flat angles C4'-P-C4' energy: -171.359
flat angles P-C4'-P energy: -120.340
tors. eta vs tors. theta energy: -241.878
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: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2675.837654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.837654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.663381 (E_RNA)
where:
Base-Base interactions energy: -1858.756
where: short stacking energy: -777.139
Base-Backbone interact. energy: -1.186
local terms energy: -816.721311
where:
bonds (distance) C4'-P energy: -148.784
bonds (distance) P-C4' energy: -161.662
flat angles C4'-P-C4' energy: -177.692
flat angles P-C4'-P energy: -115.952
tors. eta vs tors. theta energy: -212.632
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: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2650.203975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.203975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.018123 (E_RNA)
where:
Base-Base interactions energy: -1816.386
where: short stacking energy: -761.972
Base-Backbone interact. energy: -0.220
local terms energy: -836.412738
where:
bonds (distance) C4'-P energy: -156.758
bonds (distance) P-C4' energy: -155.815
flat angles C4'-P-C4' energy: -175.856
flat angles P-C4'-P energy: -117.781
tors. eta vs tors. theta energy: -230.204
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2423.499285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.499285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.318105 (E_RNA)
where:
Base-Base interactions energy: -1657.809
where: short stacking energy: -702.020
Base-Backbone interact. energy: 5.917
local terms energy: -773.426328
where:
bonds (distance) C4'-P energy: -147.050
bonds (distance) P-C4' energy: -156.279
flat angles C4'-P-C4' energy: -168.058
flat angles P-C4'-P energy: -105.390
tors. eta vs tors. theta energy: -196.649
Dist. restrs. and SS energy: 1.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2282.231215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.231215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.045647 (E_RNA)
where:
Base-Base interactions energy: -1561.749
where: short stacking energy: -663.708
Base-Backbone interact. energy: 1.677
local terms energy: -723.974476
where:
bonds (distance) C4'-P energy: -134.302
bonds (distance) P-C4' energy: -152.904
flat angles C4'-P-C4' energy: -144.454
flat angles P-C4'-P energy: -106.122
tors. eta vs tors. theta energy: -186.192
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2142.834692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.834692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.315098 (E_RNA)
where:
Base-Base interactions energy: -1440.730
where: short stacking energy: -620.393
Base-Backbone interact. energy: -4.740
local terms energy: -701.844621
where:
bonds (distance) C4'-P energy: -141.440
bonds (distance) P-C4' energy: -126.969
flat angles C4'-P-C4' energy: -158.093
flat angles P-C4'-P energy: -107.427
tors. eta vs tors. theta energy: -167.915
Dist. restrs. and SS energy: 4.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2000.604009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.604009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.574602 (E_RNA)
where:
Base-Base interactions energy: -1337.924
where: short stacking energy: -552.761
Base-Backbone interact. energy: 0.950
local terms energy: -665.600777
where:
bonds (distance) C4'-P energy: -125.145
bonds (distance) P-C4' energy: -139.716
flat angles C4'-P-C4' energy: -151.860
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -154.970
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: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1904.610243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.610243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.810077 (E_RNA)
where:
Base-Base interactions energy: -1294.644
where: short stacking energy: -547.874
Base-Backbone interact. energy: -0.411
local terms energy: -612.754706
where:
bonds (distance) C4'-P energy: -130.475
bonds (distance) P-C4' energy: -137.741
flat angles C4'-P-C4' energy: -123.941
flat angles P-C4'-P energy: -84.156
tors. eta vs tors. theta energy: -136.441
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: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1854.518959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.518959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.948985 (E_RNA)
where:
Base-Base interactions energy: -1294.185
where: short stacking energy: -524.834
Base-Backbone interact. energy: -0.269
local terms energy: -562.495044
where:
bonds (distance) C4'-P energy: -110.845
bonds (distance) P-C4' energy: -116.874
flat angles C4'-P-C4' energy: -139.736
flat angles P-C4'-P energy: -80.139
tors. eta vs tors. theta energy: -114.900
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: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2901.809563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.809563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.828394 (E_RNA)
where:
Base-Base interactions energy: -1991.943
where: short stacking energy: -804.056
Base-Backbone interact. energy: -5.530
local terms energy: -906.355277
where:
bonds (distance) C4'-P energy: -179.886
bonds (distance) P-C4' energy: -160.496
flat angles C4'-P-C4' energy: -191.608
flat angles P-C4'-P energy: -128.627
tors. eta vs tors. theta energy: -245.738
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: 448
Temperature: 0.950000
Total energy: -2827.534835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.534835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.796374 (E_RNA)
where:
Base-Base interactions energy: -1965.109
where: short stacking energy: -828.787
Base-Backbone interact. energy: -1.711
local terms energy: -861.975522
where:
bonds (distance) C4'-P energy: -164.565
bonds (distance) P-C4' energy: -164.252
flat angles C4'-P-C4' energy: -168.279
flat angles P-C4'-P energy: -117.064
tors. eta vs tors. theta energy: -247.815
Dist. restrs. and SS energy: 1.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2652.457149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.457149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.886620 (E_RNA)
where:
Base-Base interactions energy: -1866.241
where: short stacking energy: -773.018
Base-Backbone interact. energy: 0.256
local terms energy: -787.901791
where:
bonds (distance) C4'-P energy: -161.139
bonds (distance) P-C4' energy: -145.031
flat angles C4'-P-C4' energy: -163.428
flat angles P-C4'-P energy: -101.760
tors. eta vs tors. theta energy: -216.543
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2567.425620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.425620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.098841 (E_RNA)
where:
Base-Base interactions energy: -1758.997
where: short stacking energy: -762.129
Base-Backbone interact. energy: -0.946
local terms energy: -810.155819
where:
bonds (distance) C4'-P energy: -136.363
bonds (distance) P-C4' energy: -153.370
flat angles C4'-P-C4' energy: -170.907
flat angles P-C4'-P energy: -122.699
tors. eta vs tors. theta energy: -226.816
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2321.889516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.889516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.002865 (E_RNA)
where:
Base-Base interactions energy: -1596.512
where: short stacking energy: -714.849
Base-Backbone interact. energy: -3.162
local terms energy: -725.329167
where:
bonds (distance) C4'-P energy: -143.354
bonds (distance) P-C4' energy: -132.675
flat angles C4'-P-C4' energy: -151.985
flat angles P-C4'-P energy: -110.484
tors. eta vs tors. theta energy: -186.832
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2338.960174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.960174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.821240 (E_RNA)
where:
Base-Base interactions energy: -1605.095
where: short stacking energy: -663.560
Base-Backbone interact. energy: 2.913
local terms energy: -738.639171
where:
bonds (distance) C4'-P energy: -134.354
bonds (distance) P-C4' energy: -161.303
flat angles C4'-P-C4' energy: -163.236
flat angles P-C4'-P energy: -100.441
tors. eta vs tors. theta energy: -179.305
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: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2143.057530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.057530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.867427 (E_RNA)
where:
Base-Base interactions energy: -1457.553
where: short stacking energy: -641.758
Base-Backbone interact. energy: 3.932
local terms energy: -695.246105
where:
bonds (distance) C4'-P energy: -144.442
bonds (distance) P-C4' energy: -146.518
flat angles C4'-P-C4' energy: -137.070
flat angles P-C4'-P energy: -93.026
tors. eta vs tors. theta energy: -174.190
Dist. restrs. and SS energy: 5.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1980.621384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.621384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.568592 (E_RNA)
where:
Base-Base interactions energy: -1362.869
where: short stacking energy: -592.427
Base-Backbone interact. energy: -2.194
local terms energy: -619.505272
where:
bonds (distance) C4'-P energy: -130.172
bonds (distance) P-C4' energy: -123.098
flat angles C4'-P-C4' energy: -144.299
flat angles P-C4'-P energy: -75.631
tors. eta vs tors. theta energy: -146.305
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: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1921.189243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.189243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.304495 (E_RNA)
where:
Base-Base interactions energy: -1272.283
where: short stacking energy: -532.527
Base-Backbone interact. energy: 2.177
local terms energy: -654.198475
where:
bonds (distance) C4'-P energy: -121.813
bonds (distance) P-C4' energy: -151.590
flat angles C4'-P-C4' energy: -159.803
flat angles P-C4'-P energy: -97.807
tors. eta vs tors. theta energy: -123.185
Dist. restrs. and SS energy: 3.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1880.399976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.399976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.897746 (E_RNA)
where:
Base-Base interactions energy: -1294.166
where: short stacking energy: -538.458
Base-Backbone interact. energy: 1.876
local terms energy: -591.608591
where:
bonds (distance) C4'-P energy: -132.865
bonds (distance) P-C4' energy: -112.370
flat angles C4'-P-C4' energy: -124.550
flat angles P-C4'-P energy: -89.727
tors. eta vs tors. theta energy: -132.095
Dist. restrs. and SS energy: 3.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2931.629240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.629240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.657182 (E_RNA)
where:
Base-Base interactions energy: -2044.432
where: short stacking energy: -849.671
Base-Backbone interact. energy: -5.062
local terms energy: -884.163469
where:
bonds (distance) C4'-P energy: -142.165
bonds (distance) P-C4' energy: -170.207
flat angles C4'-P-C4' energy: -186.159
flat angles P-C4'-P energy: -134.147
tors. eta vs tors. theta energy: -251.486
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: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2852.778285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.778285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.450814 (E_RNA)
where:
Base-Base interactions energy: -1996.203
where: short stacking energy: -820.844
Base-Backbone interact. energy: -1.439
local terms energy: -856.808611
where:
bonds (distance) C4'-P energy: -166.449
bonds (distance) P-C4' energy: -154.670
flat angles C4'-P-C4' energy: -177.963
flat angles P-C4'-P energy: -116.484
tors. eta vs tors. theta energy: -241.243
Dist. restrs. and SS energy: 1.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2641.265687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.265687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.906233 (E_RNA)
where:
Base-Base interactions energy: -1825.816
where: short stacking energy: -734.011
Base-Backbone interact. energy: -1.172
local terms energy: -815.918504
where:
bonds (distance) C4'-P energy: -146.351
bonds (distance) P-C4' energy: -160.954
flat angles C4'-P-C4' energy: -187.655
flat angles P-C4'-P energy: -114.877
tors. eta vs tors. theta energy: -206.083
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: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2576.453959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.453959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.917302 (E_RNA)
where:
Base-Base interactions energy: -1755.958
where: short stacking energy: -746.928
Base-Backbone interact. energy: -3.646
local terms energy: -818.313777
where:
bonds (distance) C4'-P energy: -156.707
bonds (distance) P-C4' energy: -140.523
flat angles C4'-P-C4' energy: -177.420
flat angles P-C4'-P energy: -114.486
tors. eta vs tors. theta energy: -229.178
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2323.599858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.599858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.386515 (E_RNA)
where:
Base-Base interactions energy: -1567.411
where: short stacking energy: -657.601
Base-Backbone interact. energy: -5.126
local terms energy: -752.850212
where:
bonds (distance) C4'-P energy: -151.467
bonds (distance) P-C4' energy: -152.163
flat angles C4'-P-C4' energy: -147.837
flat angles P-C4'-P energy: -111.188
tors. eta vs tors. theta energy: -190.196
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: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2340.581633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.581633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.216522 (E_RNA)
where:
Base-Base interactions energy: -1624.863
where: short stacking energy: -654.951
Base-Backbone interact. energy: -3.507
local terms energy: -714.846377
where:
bonds (distance) C4'-P energy: -137.573
bonds (distance) P-C4' energy: -138.493
flat angles C4'-P-C4' energy: -153.017
flat angles P-C4'-P energy: -104.119
tors. eta vs tors. theta energy: -181.645
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2144.803977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.803977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.124852 (E_RNA)
where:
Base-Base interactions energy: -1441.258
where: short stacking energy: -603.739
Base-Backbone interact. energy: -0.324
local terms energy: -705.542136
where:
bonds (distance) C4'-P energy: -138.111
bonds (distance) P-C4' energy: -145.943
flat angles C4'-P-C4' energy: -154.238
flat angles P-C4'-P energy: -109.828
tors. eta vs tors. theta energy: -157.421
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2019.698078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.698078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.644272 (E_RNA)
where:
Base-Base interactions energy: -1358.166
where: short stacking energy: -562.987
Base-Backbone interact. energy: -1.670
local terms energy: -662.808661
where:
bonds (distance) C4'-P energy: -133.822
bonds (distance) P-C4' energy: -136.822
flat angles C4'-P-C4' energy: -159.070
flat angles P-C4'-P energy: -91.554
tors. eta vs tors. theta energy: -141.541
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: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1905.957387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.957387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.715141 (E_RNA)
where:
Base-Base interactions energy: -1285.638
where: short stacking energy: -535.758
Base-Backbone interact. energy: -2.014
local terms energy: -623.063302
where:
bonds (distance) C4'-P energy: -121.846
bonds (distance) P-C4' energy: -135.690
flat angles C4'-P-C4' energy: -142.838
flat angles P-C4'-P energy: -80.351
tors. eta vs tors. theta energy: -142.339
Dist. restrs. and SS energy: 4.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1829.261313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.261313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.053486 (E_RNA)
where:
Base-Base interactions energy: -1223.914
where: short stacking energy: -505.854
Base-Backbone interact. energy: -1.263
local terms energy: -608.876097
where:
bonds (distance) C4'-P energy: -120.527
bonds (distance) P-C4' energy: -136.783
flat angles C4'-P-C4' energy: -155.973
flat angles P-C4'-P energy: -78.250
tors. eta vs tors. theta energy: -117.344
Dist. restrs. and SS energy: 4.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2964.043832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.043832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2966.014991 (E_RNA)
where:
Base-Base interactions energy: -2073.760
where: short stacking energy: -833.407
Base-Backbone interact. energy: -2.478
local terms energy: -889.777023
where:
bonds (distance) C4'-P energy: -172.445
bonds (distance) P-C4' energy: -156.031
flat angles C4'-P-C4' energy: -180.314
flat angles P-C4'-P energy: -126.797
tors. eta vs tors. theta energy: -254.190
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: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2842.141182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.141182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.119831 (E_RNA)
where:
Base-Base interactions energy: -1973.486
where: short stacking energy: -824.938
Base-Backbone interact. energy: -3.712
local terms energy: -867.922050
where:
bonds (distance) C4'-P energy: -153.789
bonds (distance) P-C4' energy: -153.472
flat angles C4'-P-C4' energy: -178.992
flat angles P-C4'-P energy: -139.393
tors. eta vs tors. theta energy: -242.276
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: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2643.054057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.054057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.660779 (E_RNA)
where:
Base-Base interactions energy: -1838.052
where: short stacking energy: -757.659
Base-Backbone interact. energy: -1.224
local terms energy: -805.384602
where:
bonds (distance) C4'-P energy: -144.519
bonds (distance) P-C4' energy: -159.176
flat angles C4'-P-C4' energy: -172.893
flat angles P-C4'-P energy: -109.041
tors. eta vs tors. theta energy: -219.756
Dist. restrs. and SS energy: 1.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2603.504974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.504974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.695971 (E_RNA)
where:
Base-Base interactions energy: -1786.470
where: short stacking energy: -780.165
Base-Backbone interact. energy: 1.729
local terms energy: -820.955565
where:
bonds (distance) C4'-P energy: -140.889
bonds (distance) P-C4' energy: -157.807
flat angles C4'-P-C4' energy: -166.097
flat angles P-C4'-P energy: -116.156
tors. eta vs tors. theta energy: -240.007
Dist. restrs. and SS energy: 2.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2388.020032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.020032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.729234 (E_RNA)
where:
Base-Base interactions energy: -1630.674
where: short stacking energy: -713.800
Base-Backbone interact. energy: -1.640
local terms energy: -757.415372
where:
bonds (distance) C4'-P energy: -133.499
bonds (distance) P-C4' energy: -159.728
flat angles C4'-P-C4' energy: -161.348
flat angles P-C4'-P energy: -97.104
tors. eta vs tors. theta energy: -205.736
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: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2279.711285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.711285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.307293 (E_RNA)
where:
Base-Base interactions energy: -1560.381
where: short stacking energy: -653.564
Base-Backbone interact. energy: -3.082
local terms energy: -717.844066
where:
bonds (distance) C4'-P energy: -130.491
bonds (distance) P-C4' energy: -143.308
flat angles C4'-P-C4' energy: -158.411
flat angles P-C4'-P energy: -99.856
tors. eta vs tors. theta energy: -185.778
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: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2126.959959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.959959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.978499 (E_RNA)
where:
Base-Base interactions energy: -1423.253
where: short stacking energy: -577.720
Base-Backbone interact. energy: -1.257
local terms energy: -705.467710
where:
bonds (distance) C4'-P energy: -129.929
bonds (distance) P-C4' energy: -135.927
flat angles C4'-P-C4' energy: -157.640
flat angles P-C4'-P energy: -102.932
tors. eta vs tors. theta energy: -179.039
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: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2016.617933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.617933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.163627 (E_RNA)
where:
Base-Base interactions energy: -1357.593
where: short stacking energy: -560.147
Base-Backbone interact. energy: -3.626
local terms energy: -657.944307
where:
bonds (distance) C4'-P energy: -123.090
bonds (distance) P-C4' energy: -142.462
flat angles C4'-P-C4' energy: -160.632
flat angles P-C4'-P energy: -89.288
tors. eta vs tors. theta energy: -142.473
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: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1950.845805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.845805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.713892 (E_RNA)
where:
Base-Base interactions energy: -1339.797
where: short stacking energy: -569.109
Base-Backbone interact. energy: 0.793
local terms energy: -617.709876
where:
bonds (distance) C4'-P energy: -117.765
bonds (distance) P-C4' energy: -126.717
flat angles C4'-P-C4' energy: -141.814
flat angles P-C4'-P energy: -83.623
tors. eta vs tors. theta energy: -147.790
Dist. restrs. and SS energy: 5.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1874.134104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.134104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.412153 (E_RNA)
where:
Base-Base interactions energy: -1266.246
where: short stacking energy: -509.661
Base-Backbone interact. energy: -2.064
local terms energy: -608.102307
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -117.477
flat angles C4'-P-C4' energy: -154.045
flat angles P-C4'-P energy: -92.913
tors. eta vs tors. theta energy: -123.505
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: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2954.560233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.560233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.978938 (E_RNA)
where:
Base-Base interactions energy: -2051.883
where: short stacking energy: -835.347
Base-Backbone interact. energy: -4.057
local terms energy: -900.039688
where:
bonds (distance) C4'-P energy: -161.414
bonds (distance) P-C4' energy: -172.012
flat angles C4'-P-C4' energy: -189.751
flat angles P-C4'-P energy: -124.573
tors. eta vs tors. theta energy: -252.290
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2846.403818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.403818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.906125 (E_RNA)
where:
Base-Base interactions energy: -2007.617
where: short stacking energy: -823.692
Base-Backbone interact. energy: 2.471
local terms energy: -842.760548
where:
bonds (distance) C4'-P energy: -131.877
bonds (distance) P-C4' energy: -151.661
flat angles C4'-P-C4' energy: -193.958
flat angles P-C4'-P energy: -125.641
tors. eta vs tors. theta energy: -239.624
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2612.732022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.732022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.153450 (E_RNA)
where:
Base-Base interactions energy: -1791.009
where: short stacking energy: -768.416
Base-Backbone interact. energy: -2.947
local terms energy: -821.196566
where:
bonds (distance) C4'-P energy: -157.659
bonds (distance) P-C4' energy: -143.388
flat angles C4'-P-C4' energy: -189.762
flat angles P-C4'-P energy: -112.072
tors. eta vs tors. theta energy: -218.317
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2601.185085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.185085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.670607 (E_RNA)
where:
Base-Base interactions energy: -1789.333
where: short stacking energy: -756.021
Base-Backbone interact. energy: 0.541
local terms energy: -813.877829
where:
bonds (distance) C4'-P energy: -142.462
bonds (distance) P-C4' energy: -160.099
flat angles C4'-P-C4' energy: -167.788
flat angles P-C4'-P energy: -117.408
tors. eta vs tors. theta energy: -226.121
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: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2372.801512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.801512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.891378 (E_RNA)
where:
Base-Base interactions energy: -1620.538
where: short stacking energy: -713.144
Base-Backbone interact. energy: -0.770
local terms energy: -752.583282
where:
bonds (distance) C4'-P energy: -144.998
bonds (distance) P-C4' energy: -116.591
flat angles C4'-P-C4' energy: -163.395
flat angles P-C4'-P energy: -115.363
tors. eta vs tors. theta energy: -212.236
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: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2262.579769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.579769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.644120 (E_RNA)
where:
Base-Base interactions energy: -1542.236
where: short stacking energy: -633.218
Base-Backbone interact. energy: -2.604
local terms energy: -720.803468
where:
bonds (distance) C4'-P energy: -127.429
bonds (distance) P-C4' energy: -156.390
flat angles C4'-P-C4' energy: -158.554
flat angles P-C4'-P energy: -106.338
tors. eta vs tors. theta energy: -172.093
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: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -2182.657229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.657229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.591785 (E_RNA)
where:
Base-Base interactions energy: -1517.576
where: short stacking energy: -631.629
Base-Backbone interact. energy: -2.018
local terms energy: -664.998213
where:
bonds (distance) C4'-P energy: -115.747
bonds (distance) P-C4' energy: -120.268
flat angles C4'-P-C4' energy: -157.559
flat angles P-C4'-P energy: -88.536
tors. eta vs tors. theta energy: -182.887
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: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2014.282557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.282557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.527717 (E_RNA)
where:
Base-Base interactions energy: -1384.365
where: short stacking energy: -583.055
Base-Backbone interact. energy: 0.478
local terms energy: -634.641142
where:
bonds (distance) C4'-P energy: -126.672
bonds (distance) P-C4' energy: -131.608
flat angles C4'-P-C4' energy: -143.243
flat angles P-C4'-P energy: -93.729
tors. eta vs tors. theta energy: -139.390
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: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1924.388180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.388180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.884008 (E_RNA)
where:
Base-Base interactions energy: -1310.351
where: short stacking energy: -565.685
Base-Backbone interact. energy: 3.782
local terms energy: -621.314922
where:
bonds (distance) C4'-P energy: -128.751
bonds (distance) P-C4' energy: -117.601
flat angles C4'-P-C4' energy: -134.786
flat angles P-C4'-P energy: -97.611
tors. eta vs tors. theta energy: -142.566
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: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1852.862376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.862376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.672003 (E_RNA)
where:
Base-Base interactions energy: -1252.240
where: short stacking energy: -520.963
Base-Backbone interact. energy: -3.148
local terms energy: -602.283590
where:
bonds (distance) C4'-P energy: -124.787
bonds (distance) P-C4' energy: -121.169
flat angles C4'-P-C4' energy: -136.801
flat angles P-C4'-P energy: -83.523
tors. eta vs tors. theta energy: -136.003
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: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2969.332347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.332347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.599955 (E_RNA)
where:
Base-Base interactions energy: -2077.244
where: short stacking energy: -848.890
Base-Backbone interact. energy: -5.632
local terms energy: -887.723782
where:
bonds (distance) C4'-P energy: -167.956
bonds (distance) P-C4' energy: -152.946
flat angles C4'-P-C4' energy: -188.812
flat angles P-C4'-P energy: -121.170
tors. eta vs tors. theta energy: -256.839
Dist. restrs. and SS energy: 1.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2847.680158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.680158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.711913 (E_RNA)
where:
Base-Base interactions energy: -2013.929
where: short stacking energy: -797.570
Base-Backbone interact. energy: 0.235
local terms energy: -836.017918
where:
bonds (distance) C4'-P energy: -153.369
bonds (distance) P-C4' energy: -150.211
flat angles C4'-P-C4' energy: -181.422
flat angles P-C4'-P energy: -116.345
tors. eta vs tors. theta energy: -234.671
Dist. restrs. and SS energy: 2.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2655.293018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.293018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.792471 (E_RNA)
where:
Base-Base interactions energy: -1835.530
where: short stacking energy: -753.382
Base-Backbone interact. energy: -2.577
local terms energy: -818.685324
where:
bonds (distance) C4'-P energy: -148.058
bonds (distance) P-C4' energy: -149.950
flat angles C4'-P-C4' energy: -189.286
flat angles P-C4'-P energy: -114.086
tors. eta vs tors. theta energy: -217.305
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: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2601.175118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.175118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.762432 (E_RNA)
where:
Base-Base interactions energy: -1815.878
where: short stacking energy: -763.927
Base-Backbone interact. energy: 7.236
local terms energy: -794.120459
where:
bonds (distance) C4'-P energy: -123.522
bonds (distance) P-C4' energy: -136.903
flat angles C4'-P-C4' energy: -178.264
flat angles P-C4'-P energy: -122.140
tors. eta vs tors. theta energy: -233.292
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2388.030891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.030891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.948567 (E_RNA)
where:
Base-Base interactions energy: -1623.464
where: short stacking energy: -700.529
Base-Backbone interact. energy: 1.323
local terms energy: -767.807898
where:
bonds (distance) C4'-P energy: -143.975
bonds (distance) P-C4' energy: -150.590
flat angles C4'-P-C4' energy: -170.146
flat angles P-C4'-P energy: -105.458
tors. eta vs tors. theta energy: -197.638
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2247.180347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.180347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.197794 (E_RNA)
where:
Base-Base interactions energy: -1551.021
where: short stacking energy: -653.147
Base-Backbone interact. energy: -1.733
local terms energy: -696.443909
where:
bonds (distance) C4'-P energy: -132.773
bonds (distance) P-C4' energy: -130.890
flat angles C4'-P-C4' energy: -146.706
flat angles P-C4'-P energy: -114.902
tors. eta vs tors. theta energy: -171.173
Dist. restrs. and SS energy: 2.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2159.879956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.879956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.390256 (E_RNA)
where:
Base-Base interactions energy: -1477.325
where: short stacking energy: -646.522
Base-Backbone interact. energy: -2.902
local terms energy: -682.163019
where:
bonds (distance) C4'-P energy: -134.995
bonds (distance) P-C4' energy: -155.241
flat angles C4'-P-C4' energy: -142.579
flat angles P-C4'-P energy: -81.617
tors. eta vs tors. theta energy: -167.731
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1974.907653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.907653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.235421 (E_RNA)
where:
Base-Base interactions energy: -1343.423
where: short stacking energy: -574.562
Base-Backbone interact. energy: -0.554
local terms energy: -634.258584
where:
bonds (distance) C4'-P energy: -110.059
bonds (distance) P-C4' energy: -130.124
flat angles C4'-P-C4' energy: -162.835
flat angles P-C4'-P energy: -93.249
tors. eta vs tors. theta energy: -137.992
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: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1934.340505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.340505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.634632 (E_RNA)
where:
Base-Base interactions energy: -1305.685
where: short stacking energy: -548.887
Base-Backbone interact. energy: 8.212
local terms energy: -640.161697
where:
bonds (distance) C4'-P energy: -117.268
bonds (distance) P-C4' energy: -132.058
flat angles C4'-P-C4' energy: -150.653
flat angles P-C4'-P energy: -95.133
tors. eta vs tors. theta energy: -145.050
Dist. restrs. and SS energy: 3.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1871.374059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.374059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.796018 (E_RNA)
where:
Base-Base interactions energy: -1298.324
where: short stacking energy: -565.504
Base-Backbone interact. energy: -2.451
local terms energy: -575.021147
where:
bonds (distance) C4'-P energy: -110.354
bonds (distance) P-C4' energy: -122.691
flat angles C4'-P-C4' energy: -143.566
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -135.624
Dist. restrs. and SS energy: 4.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2955.152996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.152996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.389902 (E_RNA)
where:
Base-Base interactions energy: -2062.753
where: short stacking energy: -847.842
Base-Backbone interact. energy: -3.460
local terms energy: -890.176174
where:
bonds (distance) C4'-P energy: -155.715
bonds (distance) P-C4' energy: -165.963
flat angles C4'-P-C4' energy: -186.410
flat angles P-C4'-P energy: -119.297
tors. eta vs tors. theta energy: -262.791
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2849.016564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.016564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.219509 (E_RNA)
where:
Base-Base interactions energy: -1968.935
where: short stacking energy: -827.964
Base-Backbone interact. energy: -5.420
local terms energy: -875.864211
where:
bonds (distance) C4'-P energy: -144.276
bonds (distance) P-C4' energy: -172.018
flat angles C4'-P-C4' energy: -182.318
flat angles P-C4'-P energy: -127.092
tors. eta vs tors. theta energy: -250.160
Dist. restrs. and SS energy: 1.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2656.668629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.668629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.085341 (E_RNA)
where:
Base-Base interactions energy: -1847.329
where: short stacking energy: -781.749
Base-Backbone interact. energy: -3.190
local terms energy: -807.565666
where:
bonds (distance) C4'-P energy: -130.888
bonds (distance) P-C4' energy: -152.909
flat angles C4'-P-C4' energy: -178.913
flat angles P-C4'-P energy: -119.053
tors. eta vs tors. theta energy: -225.803
Dist. restrs. and SS energy: 1.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2571.665952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.665952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.454765 (E_RNA)
where:
Base-Base interactions energy: -1745.675
where: short stacking energy: -753.869
Base-Backbone interact. energy: -6.845
local terms energy: -820.934897
where:
bonds (distance) C4'-P energy: -143.661
bonds (distance) P-C4' energy: -149.515
flat angles C4'-P-C4' energy: -165.560
flat angles P-C4'-P energy: -133.562
tors. eta vs tors. theta energy: -228.637
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: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2386.159523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.159523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.961995 (E_RNA)
where:
Base-Base interactions energy: -1624.276
where: short stacking energy: -679.833
Base-Backbone interact. energy: -1.329
local terms energy: -762.356936
where:
bonds (distance) C4'-P energy: -133.390
bonds (distance) P-C4' energy: -160.686
flat angles C4'-P-C4' energy: -158.273
flat angles P-C4'-P energy: -105.944
tors. eta vs tors. theta energy: -204.064
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: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2334.372356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.372356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.443932 (E_RNA)
where:
Base-Base interactions energy: -1552.031
where: short stacking energy: -672.116
Base-Backbone interact. energy: -6.313
local terms energy: -778.099861
where:
bonds (distance) C4'-P energy: -145.076
bonds (distance) P-C4' energy: -145.106
flat angles C4'-P-C4' energy: -171.609
flat angles P-C4'-P energy: -115.179
tors. eta vs tors. theta energy: -201.130
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: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2140.163778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.163778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.863112 (E_RNA)
where:
Base-Base interactions energy: -1455.023
where: short stacking energy: -633.601
Base-Backbone interact. energy: -0.618
local terms energy: -688.222307
where:
bonds (distance) C4'-P energy: -133.182
bonds (distance) P-C4' energy: -147.943
flat angles C4'-P-C4' energy: -153.389
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -169.156
Dist. restrs. and SS energy: 3.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2016.729387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.729387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.452866 (E_RNA)
where:
Base-Base interactions energy: -1388.885
where: short stacking energy: -593.955
Base-Backbone interact. energy: -0.916
local terms energy: -629.651617
where:
bonds (distance) C4'-P energy: -106.099
bonds (distance) P-C4' energy: -135.620
flat angles C4'-P-C4' energy: -151.976
flat angles P-C4'-P energy: -79.060
tors. eta vs tors. theta energy: -156.897
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: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1917.854438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.854438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.189391 (E_RNA)
where:
Base-Base interactions energy: -1277.795
where: short stacking energy: -541.084
Base-Backbone interact. energy: 1.169
local terms energy: -644.563345
where:
bonds (distance) C4'-P energy: -125.822
bonds (distance) P-C4' energy: -126.252
flat angles C4'-P-C4' energy: -145.499
flat angles P-C4'-P energy: -99.022
tors. eta vs tors. theta energy: -147.969
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: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1783.719982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.719982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.906947 (E_RNA)
where:
Base-Base interactions energy: -1217.808
where: short stacking energy: -514.233
Base-Backbone interact. energy: 2.038
local terms energy: -574.136836
where:
bonds (distance) C4'-P energy: -106.378
bonds (distance) P-C4' energy: -115.642
flat angles C4'-P-C4' energy: -134.051
flat angles P-C4'-P energy: -81.080
tors. eta vs tors. theta energy: -136.985
Dist. restrs. and SS energy: 6.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2979.861879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.861879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.880013 (E_RNA)
where:
Base-Base interactions energy: -2079.359
where: short stacking energy: -852.675
Base-Backbone interact. energy: -1.382
local terms energy: -900.139082
where:
bonds (distance) C4'-P energy: -161.821
bonds (distance) P-C4' energy: -168.115
flat angles C4'-P-C4' energy: -186.033
flat angles P-C4'-P energy: -129.943
tors. eta vs tors. theta energy: -254.227
Dist. restrs. and SS energy: 1.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2894.252419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.252419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.874083 (E_RNA)
where:
Base-Base interactions energy: -2016.647
where: short stacking energy: -813.760
Base-Backbone interact. energy: -0.786
local terms energy: -879.441331
where:
bonds (distance) C4'-P energy: -168.708
bonds (distance) P-C4' energy: -163.596
flat angles C4'-P-C4' energy: -181.287
flat angles P-C4'-P energy: -113.463
tors. eta vs tors. theta energy: -252.388
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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2669.287825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.287825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.538298 (E_RNA)
where:
Base-Base interactions energy: -1875.323
where: short stacking energy: -816.351
Base-Backbone interact. energy: 4.126
local terms energy: -800.342258
where:
bonds (distance) C4'-P energy: -129.895
bonds (distance) P-C4' energy: -147.552
flat angles C4'-P-C4' energy: -177.352
flat angles P-C4'-P energy: -116.339
tors. eta vs tors. theta energy: -229.204
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: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2584.602512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.602512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.320971 (E_RNA)
where:
Base-Base interactions energy: -1765.593
where: short stacking energy: -766.609
Base-Backbone interact. energy: 2.990
local terms energy: -823.717359
where:
bonds (distance) C4'-P energy: -148.094
bonds (distance) P-C4' energy: -157.629
flat angles C4'-P-C4' energy: -175.105
flat angles P-C4'-P energy: -107.569
tors. eta vs tors. theta energy: -235.321
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: 454
Temperature: 1.100000
Total energy: -2311.473444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.473444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.843623 (E_RNA)
where:
Base-Base interactions energy: -1563.792
where: short stacking energy: -667.266
Base-Backbone interact. energy: -0.783
local terms energy: -748.268544
where:
bonds (distance) C4'-P energy: -133.141
bonds (distance) P-C4' energy: -143.048
flat angles C4'-P-C4' energy: -159.876
flat angles P-C4'-P energy: -113.702
tors. eta vs tors. theta energy: -198.501
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2256.528334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.528334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.037698 (E_RNA)
where:
Base-Base interactions energy: -1512.227
where: short stacking energy: -627.020
Base-Backbone interact. energy: -1.353
local terms energy: -745.457338
where:
bonds (distance) C4'-P energy: -157.741
bonds (distance) P-C4' energy: -145.201
flat angles C4'-P-C4' energy: -171.821
flat angles P-C4'-P energy: -95.904
tors. eta vs tors. theta energy: -174.790
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2146.364347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.364347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.586352 (E_RNA)
where:
Base-Base interactions energy: -1433.887
where: short stacking energy: -606.865
Base-Backbone interact. energy: -1.357
local terms energy: -714.342143
where:
bonds (distance) C4'-P energy: -151.848
bonds (distance) P-C4' energy: -122.488
flat angles C4'-P-C4' energy: -163.528
flat angles P-C4'-P energy: -108.488
tors. eta vs tors. theta energy: -167.990
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2054.179932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.179932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.071537 (E_RNA)
where:
Base-Base interactions energy: -1364.548
where: short stacking energy: -597.571
Base-Backbone interact. energy: 3.891
local terms energy: -695.413931
where:
bonds (distance) C4'-P energy: -129.834
bonds (distance) P-C4' energy: -139.301
flat angles C4'-P-C4' energy: -148.180
flat angles P-C4'-P energy: -119.824
tors. eta vs tors. theta energy: -158.275
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: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1937.209348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.209348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.945126 (E_RNA)
where:
Base-Base interactions energy: -1297.315
where: short stacking energy: -542.093
Base-Backbone interact. energy: 1.139
local terms energy: -643.769262
where:
bonds (distance) C4'-P energy: -130.628
bonds (distance) P-C4' energy: -148.550
flat angles C4'-P-C4' energy: -125.656
flat angles P-C4'-P energy: -82.877
tors. eta vs tors. theta energy: -156.057
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: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1865.136733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.136733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.348097 (E_RNA)
where:
Base-Base interactions energy: -1264.911
where: short stacking energy: -530.485
Base-Backbone interact. energy: 0.526
local terms energy: -604.962531
where:
bonds (distance) C4'-P energy: -123.398
bonds (distance) P-C4' energy: -132.799
flat angles C4'-P-C4' energy: -137.549
flat angles P-C4'-P energy: -76.999
tors. eta vs tors. theta energy: -134.218
Dist. restrs. and SS energy: 4.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2929.454656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.454656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.015315 (E_RNA)
where:
Base-Base interactions energy: -2053.847
where: short stacking energy: -837.843
Base-Backbone interact. energy: -1.562
local terms energy: -875.606424
where:
bonds (distance) C4'-P energy: -160.384
bonds (distance) P-C4' energy: -158.787
flat angles C4'-P-C4' energy: -191.986
flat angles P-C4'-P energy: -131.431
tors. eta vs tors. theta energy: -233.019
Dist. restrs. and SS energy: 1.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2866.335688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.335688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.969673 (E_RNA)
where:
Base-Base interactions energy: -2005.819
where: short stacking energy: -821.980
Base-Backbone interact. energy: -1.710
local terms energy: -859.440901
where:
bonds (distance) C4'-P energy: -147.407
bonds (distance) P-C4' energy: -173.854
flat angles C4'-P-C4' energy: -180.127
flat angles P-C4'-P energy: -111.645
tors. eta vs tors. theta energy: -246.409
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2718.049421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.049421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.176526 (E_RNA)
where:
Base-Base interactions energy: -1879.623
where: short stacking energy: -790.996
Base-Backbone interact. energy: -1.675
local terms energy: -838.878753
where:
bonds (distance) C4'-P energy: -156.432
bonds (distance) P-C4' energy: -155.710
flat angles C4'-P-C4' energy: -180.194
flat angles P-C4'-P energy: -115.187
tors. eta vs tors. theta energy: -231.356
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2586.338332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.338332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.380463 (E_RNA)
where:
Base-Base interactions energy: -1753.379
where: short stacking energy: -733.430
Base-Backbone interact. energy: 3.004
local terms energy: -838.005396
where:
bonds (distance) C4'-P energy: -159.908
bonds (distance) P-C4' energy: -160.269
flat angles C4'-P-C4' energy: -178.675
flat angles P-C4'-P energy: -123.169
tors. eta vs tors. theta energy: -215.984
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2376.981388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.981388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.680687 (E_RNA)
where:
Base-Base interactions energy: -1644.459
where: short stacking energy: -755.140
Base-Backbone interact. energy: -3.948
local terms energy: -731.273808
where:
bonds (distance) C4'-P energy: -126.384
bonds (distance) P-C4' energy: -122.389
flat angles C4'-P-C4' energy: -174.977
flat angles P-C4'-P energy: -97.901
tors. eta vs tors. theta energy: -209.623
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: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2244.979731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.979731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.956702 (E_RNA)
where:
Base-Base interactions energy: -1544.298
where: short stacking energy: -635.547
Base-Backbone interact. energy: -2.512
local terms energy: -701.147048
where:
bonds (distance) C4'-P energy: -135.728
bonds (distance) P-C4' energy: -131.739
flat angles C4'-P-C4' energy: -159.364
flat angles P-C4'-P energy: -102.192
tors. eta vs tors. theta energy: -172.123
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2145.743605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.743605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.368263 (E_RNA)
where:
Base-Base interactions energy: -1454.414
where: short stacking energy: -605.742
Base-Backbone interact. energy: 0.856
local terms energy: -693.810102
where:
bonds (distance) C4'-P energy: -137.106
bonds (distance) P-C4' energy: -129.919
flat angles C4'-P-C4' energy: -162.084
flat angles P-C4'-P energy: -108.995
tors. eta vs tors. theta energy: -155.705
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1978.958502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.958502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.780129 (E_RNA)
where:
Base-Base interactions energy: -1347.869
where: short stacking energy: -575.119
Base-Backbone interact. energy: -4.291
local terms energy: -630.619892
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -140.872
flat angles C4'-P-C4' energy: -137.775
flat angles P-C4'-P energy: -95.444
tors. eta vs tors. theta energy: -143.561
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: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1963.113297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.113297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.806221 (E_RNA)
where:
Base-Base interactions energy: -1347.985
where: short stacking energy: -571.718
Base-Backbone interact. energy: -1.332
local terms energy: -615.489392
where:
bonds (distance) C4'-P energy: -123.630
bonds (distance) P-C4' energy: -114.011
flat angles C4'-P-C4' energy: -138.941
flat angles P-C4'-P energy: -89.975
tors. eta vs tors. theta energy: -148.931
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: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1893.776034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.776034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.911145 (E_RNA)
where:
Base-Base interactions energy: -1297.036
where: short stacking energy: -526.629
Base-Backbone interact. energy: -2.370
local terms energy: -599.505468
where:
bonds (distance) C4'-P energy: -123.869
bonds (distance) P-C4' energy: -120.254
flat angles C4'-P-C4' energy: -130.461
flat angles P-C4'-P energy: -88.223
tors. eta vs tors. theta energy: -136.698
Dist. restrs. and SS energy: 5.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2929.146987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.146987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.751108 (E_RNA)
where:
Base-Base interactions energy: -2035.852
where: short stacking energy: -831.771
Base-Backbone interact. energy: -5.935
local terms energy: -888.963731
where:
bonds (distance) C4'-P energy: -155.404
bonds (distance) P-C4' energy: -161.284
flat angles C4'-P-C4' energy: -182.126
flat angles P-C4'-P energy: -140.425
tors. eta vs tors. theta energy: -249.724
Dist. restrs. and SS energy: 1.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2857.018009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.018009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.045701 (E_RNA)
where:
Base-Base interactions energy: -2001.937
where: short stacking energy: -861.479
Base-Backbone interact. energy: -0.701
local terms energy: -856.408560
where:
bonds (distance) C4'-P energy: -133.464
bonds (distance) P-C4' energy: -154.798
flat angles C4'-P-C4' energy: -189.617
flat angles P-C4'-P energy: -122.641
tors. eta vs tors. theta energy: -255.888
Dist. restrs. and SS energy: 2.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2693.456901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.456901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.300612 (E_RNA)
where:
Base-Base interactions energy: -1854.683
where: short stacking energy: -788.041
Base-Backbone interact. energy: 0.681
local terms energy: -842.298702
where:
bonds (distance) C4'-P energy: -143.941
bonds (distance) P-C4' energy: -169.503
flat angles C4'-P-C4' energy: -179.239
flat angles P-C4'-P energy: -110.732
tors. eta vs tors. theta energy: -238.882
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: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2614.162791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.162791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.305749 (E_RNA)
where:
Base-Base interactions energy: -1802.639
where: short stacking energy: -779.912
Base-Backbone interact. energy: -2.963
local terms energy: -810.704054
where:
bonds (distance) C4'-P energy: -131.830
bonds (distance) P-C4' energy: -141.183
flat angles C4'-P-C4' energy: -178.732
flat angles P-C4'-P energy: -121.831
tors. eta vs tors. theta energy: -237.128
Dist. restrs. and SS energy: 2.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2360.493715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.493715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.560869 (E_RNA)
where:
Base-Base interactions energy: -1591.623
where: short stacking energy: -683.892
Base-Backbone interact. energy: 4.331
local terms energy: -775.268827
where:
bonds (distance) C4'-P energy: -139.553
bonds (distance) P-C4' energy: -144.889
flat angles C4'-P-C4' energy: -177.900
flat angles P-C4'-P energy: -116.039
tors. eta vs tors. theta energy: -196.888
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2329.466324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.466324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.738587 (E_RNA)
where:
Base-Base interactions energy: -1611.902
where: short stacking energy: -690.730
Base-Backbone interact. energy: -2.683
local terms energy: -718.153568
where:
bonds (distance) C4'-P energy: -136.978
bonds (distance) P-C4' energy: -131.522
flat angles C4'-P-C4' energy: -135.003
flat angles P-C4'-P energy: -108.487
tors. eta vs tors. theta energy: -206.164
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: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2153.301583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.301583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.973547 (E_RNA)
where:
Base-Base interactions energy: -1491.133
where: short stacking energy: -623.480
Base-Backbone interact. energy: 9.713
local terms energy: -674.553318
where:
bonds (distance) C4'-P energy: -123.161
bonds (distance) P-C4' energy: -150.698
flat angles C4'-P-C4' energy: -135.621
flat angles P-C4'-P energy: -108.315
tors. eta vs tors. theta energy: -156.758
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: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2021.085934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.085934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.116979 (E_RNA)
where:
Base-Base interactions energy: -1354.370
where: short stacking energy: -585.074
Base-Backbone interact. energy: -3.300
local terms energy: -665.446472
where:
bonds (distance) C4'-P energy: -131.542
bonds (distance) P-C4' energy: -120.847
flat angles C4'-P-C4' energy: -157.090
flat angles P-C4'-P energy: -86.380
tors. eta vs tors. theta energy: -169.588
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: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1954.217403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.217403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.840964 (E_RNA)
where:
Base-Base interactions energy: -1347.039
where: short stacking energy: -570.643
Base-Backbone interact. energy: 8.878
local terms energy: -619.679511
where:
bonds (distance) C4'-P energy: -129.695
bonds (distance) P-C4' energy: -117.122
flat angles C4'-P-C4' energy: -142.851
flat angles P-C4'-P energy: -92.940
tors. eta vs tors. theta energy: -137.071
Dist. restrs. and SS energy: 3.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1870.590800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.590800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.433626 (E_RNA)
where:
Base-Base interactions energy: -1244.035
where: short stacking energy: -533.422
Base-Backbone interact. energy: 0.403
local terms energy: -634.801992
where:
bonds (distance) C4'-P energy: -118.517
bonds (distance) P-C4' energy: -123.789
flat angles C4'-P-C4' energy: -146.062
flat angles P-C4'-P energy: -98.194
tors. eta vs tors. theta energy: -148.240
Dist. restrs. and SS energy: 7.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2904.224509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.224509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.369519 (E_RNA)
where:
Base-Base interactions energy: -2042.821
where: short stacking energy: -842.307
Base-Backbone interact. energy: -7.361
local terms energy: -855.187314
where:
bonds (distance) C4'-P energy: -158.164
bonds (distance) P-C4' energy: -151.460
flat angles C4'-P-C4' energy: -183.912
flat angles P-C4'-P energy: -120.347
tors. eta vs tors. theta energy: -241.303
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2875.022338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.022338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.899289 (E_RNA)
where:
Base-Base interactions energy: -1999.069
where: short stacking energy: -839.602
Base-Backbone interact. energy: -2.536
local terms energy: -875.294754
where:
bonds (distance) C4'-P energy: -159.815
bonds (distance) P-C4' energy: -152.762
flat angles C4'-P-C4' energy: -186.553
flat angles P-C4'-P energy: -111.607
tors. eta vs tors. theta energy: -264.558
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: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2697.629856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.629856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.433898 (E_RNA)
where:
Base-Base interactions energy: -1881.080
where: short stacking energy: -795.563
Base-Backbone interact. energy: 3.097
local terms energy: -821.450835
where:
bonds (distance) C4'-P energy: -152.634
bonds (distance) P-C4' energy: -139.350
flat angles C4'-P-C4' energy: -183.773
flat angles P-C4'-P energy: -114.050
tors. eta vs tors. theta energy: -231.644
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2542.971844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.971844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.635499 (E_RNA)
where:
Base-Base interactions energy: -1746.002
where: short stacking energy: -740.193
Base-Backbone interact. energy: -2.261
local terms energy: -797.372838
where:
bonds (distance) C4'-P energy: -142.291
bonds (distance) P-C4' energy: -146.809
flat angles C4'-P-C4' energy: -176.843
flat angles P-C4'-P energy: -115.873
tors. eta vs tors. theta energy: -215.557
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: 457
Temperature: 1.100000
Total energy: -2368.488608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.488608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.307390 (E_RNA)
where:
Base-Base interactions energy: -1606.100
where: short stacking energy: -700.784
Base-Backbone interact. energy: -3.233
local terms energy: -760.974963
where:
bonds (distance) C4'-P energy: -135.709
bonds (distance) P-C4' energy: -158.157
flat angles C4'-P-C4' energy: -156.247
flat angles P-C4'-P energy: -103.473
tors. eta vs tors. theta energy: -207.389
Dist. restrs. and SS energy: 1.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2240.172758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.172758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.535316 (E_RNA)
where:
Base-Base interactions energy: -1494.627
where: short stacking energy: -632.588
Base-Backbone interact. energy: -0.846
local terms energy: -746.062429
where:
bonds (distance) C4'-P energy: -146.823
bonds (distance) P-C4' energy: -143.434
flat angles C4'-P-C4' energy: -166.411
flat angles P-C4'-P energy: -114.933
tors. eta vs tors. theta energy: -174.461
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2213.582938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.582938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.779281 (E_RNA)
where:
Base-Base interactions energy: -1506.455
where: short stacking energy: -639.020
Base-Backbone interact. energy: 0.150
local terms energy: -709.475177
where:
bonds (distance) C4'-P energy: -130.415
bonds (distance) P-C4' energy: -142.511
flat angles C4'-P-C4' energy: -152.902
flat angles P-C4'-P energy: -104.358
tors. eta vs tors. theta energy: -179.290
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: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2005.473134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.473134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.662629 (E_RNA)
where:
Base-Base interactions energy: -1380.031
where: short stacking energy: -583.030
Base-Backbone interact. energy: -2.280
local terms energy: -626.350840
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -138.405
flat angles C4'-P-C4' energy: -130.461
flat angles P-C4'-P energy: -94.864
tors. eta vs tors. theta energy: -154.401
Dist. restrs. and SS energy: 3.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1898.776077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.776077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.863089 (E_RNA)
where:
Base-Base interactions energy: -1299.033
where: short stacking energy: -531.940
Base-Backbone interact. energy: 0.996
local terms energy: -603.826136
where:
bonds (distance) C4'-P energy: -107.862
bonds (distance) P-C4' energy: -133.089
flat angles C4'-P-C4' energy: -140.502
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -128.760
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1865.022260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.022260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.517599 (E_RNA)
where:
Base-Base interactions energy: -1247.397
where: short stacking energy: -500.249
Base-Backbone interact. energy: -2.614
local terms energy: -619.506133
where:
bonds (distance) C4'-P energy: -135.248
bonds (distance) P-C4' energy: -121.952
flat angles C4'-P-C4' energy: -137.400
flat angles P-C4'-P energy: -88.179
tors. eta vs tors. theta energy: -136.727
Dist. restrs. and SS energy: 4.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2943.453970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.453970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.306845 (E_RNA)
where:
Base-Base interactions energy: -2066.322
where: short stacking energy: -856.988
Base-Backbone interact. energy: -3.256
local terms energy: -875.728883
where:
bonds (distance) C4'-P energy: -164.003
bonds (distance) P-C4' energy: -156.231
flat angles C4'-P-C4' energy: -182.488
flat angles P-C4'-P energy: -116.365
tors. eta vs tors. theta energy: -256.642
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: 458
Temperature: 0.950000
Total energy: -2870.288031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.288031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.098503 (E_RNA)
where:
Base-Base interactions energy: -2007.383
where: short stacking energy: -836.361
Base-Backbone interact. energy: 1.592
local terms energy: -865.306906
where:
bonds (distance) C4'-P energy: -157.253
bonds (distance) P-C4' energy: -163.228
flat angles C4'-P-C4' energy: -180.696
flat angles P-C4'-P energy: -117.957
tors. eta vs tors. theta energy: -246.173
Dist. restrs. and SS energy: 0.810 (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: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2681.953155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.953155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.048898 (E_RNA)
where:
Base-Base interactions energy: -1861.493
where: short stacking energy: -797.673
Base-Backbone interact. energy: -3.875
local terms energy: -819.681265
where:
bonds (distance) C4'-P energy: -130.970
bonds (distance) P-C4' energy: -154.275
flat angles C4'-P-C4' energy: -178.249
flat angles P-C4'-P energy: -117.713
tors. eta vs tors. theta energy: -238.475
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: 4, replica: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2521.450871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.450871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.513031 (E_RNA)
where:
Base-Base interactions energy: -1749.272
where: short stacking energy: -748.308
Base-Backbone interact. energy: 1.625
local terms energy: -775.865665
where:
bonds (distance) C4'-P energy: -135.310
bonds (distance) P-C4' energy: -133.090
flat angles C4'-P-C4' energy: -173.181
flat angles P-C4'-P energy: -116.629
tors. eta vs tors. theta energy: -217.656
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2385.161162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.161162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.159613 (E_RNA)
where:
Base-Base interactions energy: -1632.613
where: short stacking energy: -694.192
Base-Backbone interact. energy: 2.153
local terms energy: -756.699969
where:
bonds (distance) C4'-P energy: -140.532
bonds (distance) P-C4' energy: -162.102
flat angles C4'-P-C4' energy: -163.230
flat angles P-C4'-P energy: -112.553
tors. eta vs tors. theta energy: -178.283
Dist. restrs. and SS energy: 1.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2237.252271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.252271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.659034 (E_RNA)
where:
Base-Base interactions energy: -1521.321
where: short stacking energy: -688.846
Base-Backbone interact. energy: -3.202
local terms energy: -716.135591
where:
bonds (distance) C4'-P energy: -127.089
bonds (distance) P-C4' energy: -138.732
flat angles C4'-P-C4' energy: -147.843
flat angles P-C4'-P energy: -110.498
tors. eta vs tors. theta energy: -191.974
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: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2243.322388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.322388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.181350 (E_RNA)
where:
Base-Base interactions energy: -1553.654
where: short stacking energy: -672.898
Base-Backbone interact. energy: 2.618
local terms energy: -695.145537
where:
bonds (distance) C4'-P energy: -119.462
bonds (distance) P-C4' energy: -149.498
flat angles C4'-P-C4' energy: -150.221
flat angles P-C4'-P energy: -99.715
tors. eta vs tors. theta energy: -176.250
Dist. restrs. and SS energy: 2.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1983.103984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.103984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.520887 (E_RNA)
where:
Base-Base interactions energy: -1335.307
where: short stacking energy: -576.299
Base-Backbone interact. energy: -1.344
local terms energy: -651.869818
where:
bonds (distance) C4'-P energy: -130.023
bonds (distance) P-C4' energy: -117.981
flat angles C4'-P-C4' energy: -156.397
flat angles P-C4'-P energy: -96.689
tors. eta vs tors. theta energy: -150.780
Dist. restrs. and SS energy: 5.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1936.275299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.275299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.650802 (E_RNA)
where:
Base-Base interactions energy: -1307.630
where: short stacking energy: -536.000
Base-Backbone interact. energy: 4.931
local terms energy: -636.952117
where:
bonds (distance) C4'-P energy: -133.950
bonds (distance) P-C4' energy: -135.457
flat angles C4'-P-C4' energy: -146.772
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -138.982
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: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1867.156477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.156477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.078273 (E_RNA)
where:
Base-Base interactions energy: -1240.320
where: short stacking energy: -516.926
Base-Backbone interact. energy: 6.208
local terms energy: -638.966172
where:
bonds (distance) C4'-P energy: -142.445
bonds (distance) P-C4' energy: -140.761
flat angles C4'-P-C4' energy: -127.567
flat angles P-C4'-P energy: -103.054
tors. eta vs tors. theta energy: -125.139
Dist. restrs. and SS energy: 5.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -3019.264346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.264346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.523778 (E_RNA)
where:
Base-Base interactions energy: -2095.496
where: short stacking energy: -853.014
Base-Backbone interact. energy: -3.194
local terms energy: -921.833885
where:
bonds (distance) C4'-P energy: -164.915
bonds (distance) P-C4' energy: -167.792
flat angles C4'-P-C4' energy: -200.272
flat angles P-C4'-P energy: -128.846
tors. eta vs tors. theta energy: -260.009
Dist. restrs. and SS energy: 1.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2841.394369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.394369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.002245 (E_RNA)
where:
Base-Base interactions energy: -2010.783
where: short stacking energy: -831.097
Base-Backbone interact. energy: 2.527
local terms energy: -834.746466
where:
bonds (distance) C4'-P energy: -147.851
bonds (distance) P-C4' energy: -157.853
flat angles C4'-P-C4' energy: -179.088
flat angles P-C4'-P energy: -110.323
tors. eta vs tors. theta energy: -239.632
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: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2659.493607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.524638 (E_RNA)
where:
Base-Base interactions energy: -1823.646
where: short stacking energy: -756.456
Base-Backbone interact. energy: -1.193
local terms energy: -837.685254
where:
bonds (distance) C4'-P energy: -149.722
bonds (distance) P-C4' energy: -162.074
flat angles C4'-P-C4' energy: -181.697
flat angles P-C4'-P energy: -118.110
tors. eta vs tors. theta energy: -226.083
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2587.455037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.455037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.741091 (E_RNA)
where:
Base-Base interactions energy: -1758.943
where: short stacking energy: -751.279
Base-Backbone interact. energy: -2.652
local terms energy: -828.146388
where:
bonds (distance) C4'-P energy: -149.356
bonds (distance) P-C4' energy: -152.116
flat angles C4'-P-C4' energy: -184.041
flat angles P-C4'-P energy: -112.591
tors. eta vs tors. theta energy: -230.042
Dist. restrs. and SS energy: 2.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2327.104939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.104939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.716147 (E_RNA)
where:
Base-Base interactions energy: -1612.493
where: short stacking energy: -689.636
Base-Backbone interact. energy: 3.698
local terms energy: -719.921686
where:
bonds (distance) C4'-P energy: -134.163
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -165.879
flat angles P-C4'-P energy: -102.393
tors. eta vs tors. theta energy: -190.712
Dist. restrs. and SS energy: 1.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2233.809006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.809006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.341795 (E_RNA)
where:
Base-Base interactions energy: -1562.578
where: short stacking energy: -638.532
Base-Backbone interact. energy: 3.057
local terms energy: -676.821481
where:
bonds (distance) C4'-P energy: -118.097
bonds (distance) P-C4' energy: -145.766
flat angles C4'-P-C4' energy: -163.730
flat angles P-C4'-P energy: -90.812
tors. eta vs tors. theta energy: -158.416
Dist. restrs. and SS energy: 2.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2169.981431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.981431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.283477 (E_RNA)
where:
Base-Base interactions energy: -1468.663
where: short stacking energy: -625.628
Base-Backbone interact. energy: 0.489
local terms energy: -704.110188
where:
bonds (distance) C4'-P energy: -132.285
bonds (distance) P-C4' energy: -141.646
flat angles C4'-P-C4' energy: -163.487
flat angles P-C4'-P energy: -105.991
tors. eta vs tors. theta energy: -160.702
Dist. restrs. and SS energy: 2.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1979.314885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.314885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.268673 (E_RNA)
where:
Base-Base interactions energy: -1338.817
where: short stacking energy: -572.451
Base-Backbone interact. energy: 5.090
local terms energy: -649.541561
where:
bonds (distance) C4'-P energy: -127.910
bonds (distance) P-C4' energy: -130.661
flat angles C4'-P-C4' energy: -147.520
flat angles P-C4'-P energy: -101.082
tors. eta vs tors. theta energy: -142.369
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1906.649209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.649209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.314417 (E_RNA)
where:
Base-Base interactions energy: -1308.002
where: short stacking energy: -557.068
Base-Backbone interact. energy: 0.522
local terms energy: -600.834865
where:
bonds (distance) C4'-P energy: -110.266
bonds (distance) P-C4' energy: -133.057
flat angles C4'-P-C4' energy: -132.461
flat angles P-C4'-P energy: -85.865
tors. eta vs tors. theta energy: -139.186
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: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1906.287386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.287386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.650746 (E_RNA)
where:
Base-Base interactions energy: -1313.952
where: short stacking energy: -548.145
Base-Backbone interact. energy: 1.998
local terms energy: -597.696889
where:
bonds (distance) C4'-P energy: -123.674
bonds (distance) P-C4' energy: -120.963
flat angles C4'-P-C4' energy: -138.275
flat angles P-C4'-P energy: -86.486
tors. eta vs tors. theta energy: -128.299
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: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2975.572048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.572048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.142929 (E_RNA)
where:
Base-Base interactions energy: -2088.474
where: short stacking energy: -851.326
Base-Backbone interact. energy: -2.886
local terms energy: -885.783683
where:
bonds (distance) C4'-P energy: -149.297
bonds (distance) P-C4' energy: -167.509
flat angles C4'-P-C4' energy: -185.781
flat angles P-C4'-P energy: -126.645
tors. eta vs tors. theta energy: -256.552
Dist. restrs. and SS energy: 1.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2835.475888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.475888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.027652 (E_RNA)
where:
Base-Base interactions energy: -1990.263
where: short stacking energy: -818.927
Base-Backbone interact. energy: -2.171
local terms energy: -844.593715
where:
bonds (distance) C4'-P energy: -143.662
bonds (distance) P-C4' energy: -161.730
flat angles C4'-P-C4' energy: -172.703
flat angles P-C4'-P energy: -121.363
tors. eta vs tors. theta energy: -245.137
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2682.257450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.257450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.756930 (E_RNA)
where:
Base-Base interactions energy: -1857.899
where: short stacking energy: -756.527
Base-Backbone interact. energy: -1.798
local terms energy: -825.059954
where:
bonds (distance) C4'-P energy: -151.318
bonds (distance) P-C4' energy: -171.055
flat angles C4'-P-C4' energy: -173.699
flat angles P-C4'-P energy: -121.865
tors. eta vs tors. theta energy: -207.123
Dist. restrs. and SS energy: 2.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2569.574746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.574746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.953279 (E_RNA)
where:
Base-Base interactions energy: -1759.901
where: short stacking energy: -723.739
Base-Backbone interact. energy: -1.181
local terms energy: -810.871331
where:
bonds (distance) C4'-P energy: -133.889
bonds (distance) P-C4' energy: -156.710
flat angles C4'-P-C4' energy: -170.440
flat angles P-C4'-P energy: -128.543
tors. eta vs tors. theta energy: -221.289
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2292.455050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.455050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.887880 (E_RNA)
where:
Base-Base interactions energy: -1548.965
where: short stacking energy: -656.600
Base-Backbone interact. energy: -4.036
local terms energy: -740.886175
where:
bonds (distance) C4'-P energy: -138.248
bonds (distance) P-C4' energy: -158.140
flat angles C4'-P-C4' energy: -154.363
flat angles P-C4'-P energy: -111.867
tors. eta vs tors. theta energy: -178.268
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: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2276.680315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.680315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.661929 (E_RNA)
where:
Base-Base interactions energy: -1519.784
where: short stacking energy: -645.007
Base-Backbone interact. energy: -3.353
local terms energy: -755.524682
where:
bonds (distance) C4'-P energy: -133.474
bonds (distance) P-C4' energy: -159.755
flat angles C4'-P-C4' energy: -157.300
flat angles P-C4'-P energy: -114.022
tors. eta vs tors. theta energy: -190.973
Dist. restrs. and SS energy: 1.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2188.706513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.706513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.651567 (E_RNA)
where:
Base-Base interactions energy: -1473.208
where: short stacking energy: -615.365
Base-Backbone interact. energy: -0.531
local terms energy: -717.913301
where:
bonds (distance) C4'-P energy: -109.466
bonds (distance) P-C4' energy: -135.816
flat angles C4'-P-C4' energy: -173.505
flat angles P-C4'-P energy: -119.600
tors. eta vs tors. theta energy: -179.527
Dist. restrs. and SS energy: 2.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2027.976930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.976930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.430877 (E_RNA)
where:
Base-Base interactions energy: -1410.756
where: short stacking energy: -578.392
Base-Backbone interact. energy: 6.392
local terms energy: -625.066688
where:
bonds (distance) C4'-P energy: -116.588
bonds (distance) P-C4' energy: -123.762
flat angles C4'-P-C4' energy: -150.556
flat angles P-C4'-P energy: -85.314
tors. eta vs tors. theta energy: -148.846
Dist. restrs. and SS energy: 1.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1938.790072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.790072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.613578 (E_RNA)
where:
Base-Base interactions energy: -1332.237
where: short stacking energy: -553.631
Base-Backbone interact. energy: 1.512
local terms energy: -611.888268
where:
bonds (distance) C4'-P energy: -134.801
bonds (distance) P-C4' energy: -144.557
flat angles C4'-P-C4' energy: -120.744
flat angles P-C4'-P energy: -70.523
tors. eta vs tors. theta energy: -141.264
Dist. restrs. and SS energy: 3.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1844.226086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.226086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.800422 (E_RNA)
where:
Base-Base interactions energy: -1266.606
where: short stacking energy: -524.586
Base-Backbone interact. energy: -2.394
local terms energy: -578.800097
where:
bonds (distance) C4'-P energy: -117.625
bonds (distance) P-C4' energy: -138.507
flat angles C4'-P-C4' energy: -135.766
flat angles P-C4'-P energy: -61.977
tors. eta vs tors. theta energy: -124.924
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: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2985.639997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2985.639997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.439590 (E_RNA)
where:
Base-Base interactions energy: -2081.942
where: short stacking energy: -857.389
Base-Backbone interact. energy: -3.137
local terms energy: -902.360681
where:
bonds (distance) C4'-P energy: -160.806
bonds (distance) P-C4' energy: -176.233
flat angles C4'-P-C4' energy: -188.575
flat angles P-C4'-P energy: -121.295
tors. eta vs tors. theta energy: -255.452
Dist. restrs. and SS energy: 1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2817.681939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.681939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.465402 (E_RNA)
where:
Base-Base interactions energy: -1978.762
where: short stacking energy: -793.754
Base-Backbone interact. energy: 1.161
local terms energy: -840.864765
where:
bonds (distance) C4'-P energy: -163.038
bonds (distance) P-C4' energy: -150.957
flat angles C4'-P-C4' energy: -172.767
flat angles P-C4'-P energy: -121.200
tors. eta vs tors. theta energy: -232.903
Dist. restrs. and SS energy: 0.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2685.313645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.313645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.850324 (E_RNA)
where:
Base-Base interactions energy: -1837.354
where: short stacking energy: -800.845
Base-Backbone interact. energy: -2.544
local terms energy: -846.951951
where:
bonds (distance) C4'-P energy: -155.367
bonds (distance) P-C4' energy: -166.042
flat angles C4'-P-C4' energy: -183.300
flat angles P-C4'-P energy: -122.106
tors. eta vs tors. theta energy: -220.136
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: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2590.037767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.037767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.597377 (E_RNA)
where:
Base-Base interactions energy: -1801.467
where: short stacking energy: -771.012
Base-Backbone interact. energy: 1.841
local terms energy: -791.971728
where:
bonds (distance) C4'-P energy: -147.690
bonds (distance) P-C4' energy: -147.168
flat angles C4'-P-C4' energy: -169.475
flat angles P-C4'-P energy: -104.269
tors. eta vs tors. theta energy: -223.370
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2366.635874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.635874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.166711 (E_RNA)
where:
Base-Base interactions energy: -1620.655
where: short stacking energy: -678.524
Base-Backbone interact. energy: -0.605
local terms energy: -746.907366
where:
bonds (distance) C4'-P energy: -152.572
bonds (distance) P-C4' energy: -135.274
flat angles C4'-P-C4' energy: -163.470
flat angles P-C4'-P energy: -95.743
tors. eta vs tors. theta energy: -199.848
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2261.250714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.250714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.424008 (E_RNA)
where:
Base-Base interactions energy: -1552.673
where: short stacking energy: -670.082
Base-Backbone interact. energy: 5.659
local terms energy: -716.410060
where:
bonds (distance) C4'-P energy: -129.018
bonds (distance) P-C4' energy: -149.614
flat angles C4'-P-C4' energy: -142.227
flat angles P-C4'-P energy: -114.154
tors. eta vs tors. theta energy: -181.398
Dist. restrs. and SS energy: 2.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2176.930799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.930799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.487616 (E_RNA)
where:
Base-Base interactions energy: -1478.690
where: short stacking energy: -626.308
Base-Backbone interact. energy: -1.102
local terms energy: -700.695338
where:
bonds (distance) C4'-P energy: -137.322
bonds (distance) P-C4' energy: -138.430
flat angles C4'-P-C4' energy: -144.315
flat angles P-C4'-P energy: -94.952
tors. eta vs tors. theta energy: -185.676
Dist. restrs. and SS energy: 3.557 (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: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2013.428077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.428077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.223424 (E_RNA)
where:
Base-Base interactions energy: -1373.443
where: short stacking energy: -601.490
Base-Backbone interact. energy: 1.054
local terms energy: -648.835247
where:
bonds (distance) C4'-P energy: -116.346
bonds (distance) P-C4' energy: -157.647
flat angles C4'-P-C4' energy: -136.845
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -158.953
Dist. restrs. and SS energy: 7.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1937.630072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.630072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.026308 (E_RNA)
where:
Base-Base interactions energy: -1329.115
where: short stacking energy: -563.422
Base-Backbone interact. energy: -3.543
local terms energy: -609.368921
where:
bonds (distance) C4'-P energy: -109.067
bonds (distance) P-C4' energy: -133.252
flat angles C4'-P-C4' energy: -142.112
flat angles P-C4'-P energy: -82.775
tors. eta vs tors. theta energy: -142.162
Dist. restrs. and SS energy: 4.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1849.403986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.403986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.719779 (E_RNA)
where:
Base-Base interactions energy: -1281.022
where: short stacking energy: -514.900
Base-Backbone interact. energy: 4.293
local terms energy: -580.991405
where:
bonds (distance) C4'-P energy: -118.312
bonds (distance) P-C4' energy: -112.335
flat angles C4'-P-C4' energy: -135.042
flat angles P-C4'-P energy: -92.636
tors. eta vs tors. theta energy: -122.666
Dist. restrs. and SS energy: 8.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2971.654716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.654716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.231700 (E_RNA)
where:
Base-Base interactions energy: -2069.508
where: short stacking energy: -846.952
Base-Backbone interact. energy: -1.169
local terms energy: -904.554248
where:
bonds (distance) C4'-P energy: -160.799
bonds (distance) P-C4' energy: -171.235
flat angles C4'-P-C4' energy: -194.384
flat angles P-C4'-P energy: -125.163
tors. eta vs tors. theta energy: -252.973
Dist. restrs. and SS energy: 3.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2897.424058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.424058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.571031 (E_RNA)
where:
Base-Base interactions energy: -2056.115
where: short stacking energy: -854.626
Base-Backbone interact. energy: -3.560
local terms energy: -838.895476
where:
bonds (distance) C4'-P energy: -144.131
bonds (distance) P-C4' energy: -152.023
flat angles C4'-P-C4' energy: -185.238
flat angles P-C4'-P energy: -116.024
tors. eta vs tors. theta energy: -241.479
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: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2667.167746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.167746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.832893 (E_RNA)
where:
Base-Base interactions energy: -1843.973
where: short stacking energy: -783.996
Base-Backbone interact. energy: -1.909
local terms energy: -822.950723
where:
bonds (distance) C4'-P energy: -133.873
bonds (distance) P-C4' energy: -152.742
flat angles C4'-P-C4' energy: -191.743
flat angles P-C4'-P energy: -126.510
tors. eta vs tors. theta energy: -218.083
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: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2569.058541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.058541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.058916 (E_RNA)
where:
Base-Base interactions energy: -1767.353
where: short stacking energy: -769.026
Base-Backbone interact. energy: -0.951
local terms energy: -802.754938
where:
bonds (distance) C4'-P energy: -136.877
bonds (distance) P-C4' energy: -154.926
flat angles C4'-P-C4' energy: -169.368
flat angles P-C4'-P energy: -108.791
tors. eta vs tors. theta energy: -232.794
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: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2375.683326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.683326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.466371 (E_RNA)
where:
Base-Base interactions energy: -1618.896
where: short stacking energy: -687.410
Base-Backbone interact. energy: -0.342
local terms energy: -758.228213
where:
bonds (distance) C4'-P energy: -142.999
bonds (distance) P-C4' energy: -167.082
flat angles C4'-P-C4' energy: -155.644
flat angles P-C4'-P energy: -100.818
tors. eta vs tors. theta energy: -191.685
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: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2270.992200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.992200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.652533 (E_RNA)
where:
Base-Base interactions energy: -1538.222
where: short stacking energy: -648.140
Base-Backbone interact. energy: 5.159
local terms energy: -739.589139
where:
bonds (distance) C4'-P energy: -145.297
bonds (distance) P-C4' energy: -132.274
flat angles C4'-P-C4' energy: -159.787
flat angles P-C4'-P energy: -118.997
tors. eta vs tors. theta energy: -183.234
Dist. restrs. and SS energy: 1.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2191.583722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.583722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.996438 (E_RNA)
where:
Base-Base interactions energy: -1492.649
where: short stacking energy: -636.749
Base-Backbone interact. energy: -1.816
local terms energy: -698.532103
where:
bonds (distance) C4'-P energy: -133.314
bonds (distance) P-C4' energy: -138.642
flat angles C4'-P-C4' energy: -160.496
flat angles P-C4'-P energy: -95.804
tors. eta vs tors. theta energy: -170.277
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: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2055.855112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.855112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.632676 (E_RNA)
where:
Base-Base interactions energy: -1392.960
where: short stacking energy: -599.760
Base-Backbone interact. energy: -2.626
local terms energy: -663.047429
where:
bonds (distance) C4'-P energy: -131.971
bonds (distance) P-C4' energy: -142.477
flat angles C4'-P-C4' energy: -154.219
flat angles P-C4'-P energy: -76.127
tors. eta vs tors. theta energy: -158.254
Dist. restrs. and SS energy: 2.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1955.398206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.398206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.181909 (E_RNA)
where:
Base-Base interactions energy: -1324.338
where: short stacking energy: -559.926
Base-Backbone interact. energy: 1.037
local terms energy: -635.880047
where:
bonds (distance) C4'-P energy: -122.737
bonds (distance) P-C4' energy: -137.110
flat angles C4'-P-C4' energy: -121.908
flat angles P-C4'-P energy: -88.331
tors. eta vs tors. theta energy: -165.794
Dist. restrs. and SS energy: 3.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1868.333072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.333072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.925911 (E_RNA)
where:
Base-Base interactions energy: -1277.897
where: short stacking energy: -538.372
Base-Backbone interact. energy: 4.032
local terms energy: -597.060980
where:
bonds (distance) C4'-P energy: -121.003
bonds (distance) P-C4' energy: -130.229
flat angles C4'-P-C4' energy: -127.109
flat angles P-C4'-P energy: -81.898
tors. eta vs tors. theta energy: -136.822
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2994.165537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.165537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.221623 (E_RNA)
where:
Base-Base interactions energy: -2073.837
where: short stacking energy: -846.348
Base-Backbone interact. energy: -2.303
local terms energy: -922.081686
where:
bonds (distance) C4'-P energy: -166.361
bonds (distance) P-C4' energy: -179.899
flat angles C4'-P-C4' energy: -184.518
flat angles P-C4'-P energy: -139.282
tors. eta vs tors. theta energy: -252.021
Dist. restrs. and SS energy: 4.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2903.318132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.318132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.346902 (E_RNA)
where:
Base-Base interactions energy: -2016.906
where: short stacking energy: -828.825
Base-Backbone interact. energy: 0.063
local terms energy: -887.503547
where:
bonds (distance) C4'-P energy: -150.013
bonds (distance) P-C4' energy: -170.162
flat angles C4'-P-C4' energy: -186.552
flat angles P-C4'-P energy: -134.948
tors. eta vs tors. theta energy: -245.828
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2676.874121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.874121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.024488 (E_RNA)
where:
Base-Base interactions energy: -1862.484
where: short stacking energy: -784.564
Base-Backbone interact. energy: 0.876
local terms energy: -818.416914
where:
bonds (distance) C4'-P energy: -158.668
bonds (distance) P-C4' energy: -131.461
flat angles C4'-P-C4' energy: -180.814
flat angles P-C4'-P energy: -103.365
tors. eta vs tors. theta energy: -244.109
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2599.965314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.965314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.806197 (E_RNA)
where:
Base-Base interactions energy: -1775.482
where: short stacking energy: -756.523
Base-Backbone interact. energy: 0.969
local terms energy: -827.293280
where:
bonds (distance) C4'-P energy: -146.828
bonds (distance) P-C4' energy: -149.274
flat angles C4'-P-C4' energy: -176.876
flat angles P-C4'-P energy: -118.602
tors. eta vs tors. theta energy: -235.712
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: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2390.839949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.839949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.555820 (E_RNA)
where:
Base-Base interactions energy: -1631.494
where: short stacking energy: -683.429
Base-Backbone interact. energy: -1.676
local terms energy: -759.385961
where:
bonds (distance) C4'-P energy: -151.282
bonds (distance) P-C4' energy: -146.912
flat angles C4'-P-C4' energy: -164.983
flat angles P-C4'-P energy: -98.432
tors. eta vs tors. theta energy: -197.778
Dist. restrs. and SS energy: 1.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2284.204394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.204394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.092753 (E_RNA)
where:
Base-Base interactions energy: -1557.579
where: short stacking energy: -669.981
Base-Backbone interact. energy: 0.756
local terms energy: -729.270354
where:
bonds (distance) C4'-P energy: -130.614
bonds (distance) P-C4' energy: -149.242
flat angles C4'-P-C4' energy: -157.940
flat angles P-C4'-P energy: -107.197
tors. eta vs tors. theta energy: -184.278
Dist. restrs. and SS energy: 1.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2162.741685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.741685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.408925 (E_RNA)
where:
Base-Base interactions energy: -1431.084
where: short stacking energy: -623.558
Base-Backbone interact. energy: -1.807
local terms energy: -732.517459
where:
bonds (distance) C4'-P energy: -145.799
bonds (distance) P-C4' energy: -142.663
flat angles C4'-P-C4' energy: -176.694
flat angles P-C4'-P energy: -89.622
tors. eta vs tors. theta energy: -177.739
Dist. restrs. and SS energy: 2.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2040.054756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.054756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.894832 (E_RNA)
where:
Base-Base interactions energy: -1323.266
where: short stacking energy: -583.361
Base-Backbone interact. energy: 2.077
local terms energy: -725.706403
where:
bonds (distance) C4'-P energy: -149.325
bonds (distance) P-C4' energy: -150.361
flat angles C4'-P-C4' energy: -152.151
flat angles P-C4'-P energy: -116.668
tors. eta vs tors. theta energy: -157.201
Dist. restrs. and SS energy: 6.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1961.311650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.311650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.275560 (E_RNA)
where:
Base-Base interactions energy: -1351.280
where: short stacking energy: -561.465
Base-Backbone interact. energy: -0.865
local terms energy: -611.130510
where:
bonds (distance) C4'-P energy: -116.153
bonds (distance) P-C4' energy: -131.987
flat angles C4'-P-C4' energy: -139.458
flat angles P-C4'-P energy: -66.647
tors. eta vs tors. theta energy: -156.885
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: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1843.737573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.737573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.100609 (E_RNA)
where:
Base-Base interactions energy: -1269.471
where: short stacking energy: -538.531
Base-Backbone interact. energy: -3.211
local terms energy: -575.418349
where:
bonds (distance) C4'-P energy: -135.243
bonds (distance) P-C4' energy: -99.845
flat angles C4'-P-C4' energy: -134.016
flat angles P-C4'-P energy: -77.473
tors. eta vs tors. theta energy: -128.841
Dist. restrs. and SS energy: 4.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2984.228082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.228082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.837434 (E_RNA)
where:
Base-Base interactions energy: -2099.264
where: short stacking energy: -844.983
Base-Backbone interact. energy: 0.261
local terms energy: -887.834639
where:
bonds (distance) C4'-P energy: -145.053
bonds (distance) P-C4' energy: -165.919
flat angles C4'-P-C4' energy: -187.241
flat angles P-C4'-P energy: -133.021
tors. eta vs tors. theta energy: -256.599
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: 464
Temperature: 0.950000
Total energy: -2872.784806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.784806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.204308 (E_RNA)
where:
Base-Base interactions energy: -2013.250
where: short stacking energy: -817.052
Base-Backbone interact. energy: -2.835
local terms energy: -860.118977
where:
bonds (distance) C4'-P energy: -145.661
bonds (distance) P-C4' energy: -154.701
flat angles C4'-P-C4' energy: -178.822
flat angles P-C4'-P energy: -139.463
tors. eta vs tors. theta energy: -241.471
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2688.310622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.310622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.728175 (E_RNA)
where:
Base-Base interactions energy: -1867.543
where: short stacking energy: -795.647
Base-Backbone interact. energy: 3.145
local terms energy: -826.329938
where:
bonds (distance) C4'-P energy: -145.711
bonds (distance) P-C4' energy: -160.333
flat angles C4'-P-C4' energy: -175.311
flat angles P-C4'-P energy: -113.141
tors. eta vs tors. theta energy: -231.834
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2561.226912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.226912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.839633 (E_RNA)
where:
Base-Base interactions energy: -1765.948
where: short stacking energy: -729.078
Base-Backbone interact. energy: 0.277
local terms energy: -797.167801
where:
bonds (distance) C4'-P energy: -154.372
bonds (distance) P-C4' energy: -142.039
flat angles C4'-P-C4' energy: -169.387
flat angles P-C4'-P energy: -113.452
tors. eta vs tors. theta energy: -217.918
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: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2423.521846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.521846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.332108 (E_RNA)
where:
Base-Base interactions energy: -1659.776
where: short stacking energy: -713.051
Base-Backbone interact. energy: 5.974
local terms energy: -771.530371
where:
bonds (distance) C4'-P energy: -142.074
bonds (distance) P-C4' energy: -144.565
flat angles C4'-P-C4' energy: -163.456
flat angles P-C4'-P energy: -109.465
tors. eta vs tors. theta energy: -211.969
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: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2285.722188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.722188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.069904 (E_RNA)
where:
Base-Base interactions energy: -1569.500
where: short stacking energy: -646.612
Base-Backbone interact. energy: -4.575
local terms energy: -712.994876
where:
bonds (distance) C4'-P energy: -117.042
bonds (distance) P-C4' energy: -134.992
flat angles C4'-P-C4' energy: -168.675
flat angles P-C4'-P energy: -105.759
tors. eta vs tors. theta energy: -186.527
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: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2143.042626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.042626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.634759 (E_RNA)
where:
Base-Base interactions energy: -1444.056
where: short stacking energy: -614.551
Base-Backbone interact. energy: 3.236
local terms energy: -705.814624
where:
bonds (distance) C4'-P energy: -114.212
bonds (distance) P-C4' energy: -149.047
flat angles C4'-P-C4' energy: -159.225
flat angles P-C4'-P energy: -110.799
tors. eta vs tors. theta energy: -172.531
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2110.384510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.384510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.184674 (E_RNA)
where:
Base-Base interactions energy: -1435.733
where: short stacking energy: -595.859
Base-Backbone interact. energy: -0.537
local terms energy: -675.914687
where:
bonds (distance) C4'-P energy: -148.717
bonds (distance) P-C4' energy: -131.303
flat angles C4'-P-C4' energy: -137.592
flat angles P-C4'-P energy: -96.222
tors. eta vs tors. theta energy: -162.079
Dist. restrs. and SS energy: 1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1955.496225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.496225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.327451 (E_RNA)
where:
Base-Base interactions energy: -1329.383
where: short stacking energy: -537.852
Base-Backbone interact. energy: -1.308
local terms energy: -627.636925
where:
bonds (distance) C4'-P energy: -125.256
bonds (distance) P-C4' energy: -131.961
flat angles C4'-P-C4' energy: -135.379
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -150.669
Dist. restrs. and SS energy: 2.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1833.571263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.571263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.619931 (E_RNA)
where:
Base-Base interactions energy: -1239.782
where: short stacking energy: -514.232
Base-Backbone interact. energy: -1.094
local terms energy: -595.744404
where:
bonds (distance) C4'-P energy: -129.621
bonds (distance) P-C4' energy: -117.778
flat angles C4'-P-C4' energy: -128.575
flat angles P-C4'-P energy: -92.713
tors. eta vs tors. theta energy: -127.057
Dist. restrs. and SS energy: 3.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2979.927757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.927757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.492378 (E_RNA)
where:
Base-Base interactions energy: -2098.954
where: short stacking energy: -848.124
Base-Backbone interact. energy: -4.214
local terms energy: -879.324298
where:
bonds (distance) C4'-P energy: -169.105
bonds (distance) P-C4' energy: -148.275
flat angles C4'-P-C4' energy: -193.200
flat angles P-C4'-P energy: -116.099
tors. eta vs tors. theta energy: -252.646
Dist. restrs. and SS energy: 2.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2871.456141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.456141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.393886 (E_RNA)
where:
Base-Base interactions energy: -1984.916
where: short stacking energy: -819.013
Base-Backbone interact. energy: -0.381
local terms energy: -889.096031
where:
bonds (distance) C4'-P energy: -156.412
bonds (distance) P-C4' energy: -169.178
flat angles C4'-P-C4' energy: -182.114
flat angles P-C4'-P energy: -140.558
tors. eta vs tors. theta energy: -240.834
Dist. restrs. and SS energy: 2.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2755.972455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.972455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.643886 (E_RNA)
where:
Base-Base interactions energy: -1917.474
where: short stacking energy: -801.115
Base-Backbone interact. energy: 4.195
local terms energy: -845.364783
where:
bonds (distance) C4'-P energy: -164.145
bonds (distance) P-C4' energy: -165.025
flat angles C4'-P-C4' energy: -183.448
flat angles P-C4'-P energy: -106.952
tors. eta vs tors. theta energy: -225.795
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: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2600.671617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.671617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.456924 (E_RNA)
where:
Base-Base interactions energy: -1795.695
where: short stacking energy: -769.912
Base-Backbone interact. energy: 0.659
local terms energy: -807.421023
where:
bonds (distance) C4'-P energy: -140.768
bonds (distance) P-C4' energy: -138.449
flat angles C4'-P-C4' energy: -175.868
flat angles P-C4'-P energy: -128.392
tors. eta vs tors. theta energy: -223.944
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: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2399.488121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.488121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.506581 (E_RNA)
where:
Base-Base interactions energy: -1624.631
where: short stacking energy: -722.018
Base-Backbone interact. energy: 0.661
local terms energy: -777.536924
where:
bonds (distance) C4'-P energy: -155.366
bonds (distance) P-C4' energy: -138.085
flat angles C4'-P-C4' energy: -166.380
flat angles P-C4'-P energy: -107.381
tors. eta vs tors. theta energy: -210.324
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: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2285.721783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.721783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.853755 (E_RNA)
where:
Base-Base interactions energy: -1564.039
where: short stacking energy: -639.303
Base-Backbone interact. energy: -2.155
local terms energy: -721.659325
where:
bonds (distance) C4'-P energy: -139.695
bonds (distance) P-C4' energy: -137.660
flat angles C4'-P-C4' energy: -156.729
flat angles P-C4'-P energy: -106.836
tors. eta vs tors. theta energy: -180.738
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: 465
Temperature: 1.200000
Total energy: -2098.210179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.210179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.061261 (E_RNA)
where:
Base-Base interactions energy: -1424.829
where: short stacking energy: -618.621
Base-Backbone interact. energy: -3.614
local terms energy: -672.619019
where:
bonds (distance) C4'-P energy: -123.246
bonds (distance) P-C4' energy: -129.421
flat angles C4'-P-C4' energy: -139.919
flat angles P-C4'-P energy: -95.805
tors. eta vs tors. theta energy: -184.227
Dist. restrs. and SS energy: 2.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2112.369514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.369514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.616402 (E_RNA)
where:
Base-Base interactions energy: -1409.592
where: short stacking energy: -621.032
Base-Backbone interact. energy: -1.816
local terms energy: -704.208810
where:
bonds (distance) C4'-P energy: -139.379
bonds (distance) P-C4' energy: -129.262
flat angles C4'-P-C4' energy: -151.111
flat angles P-C4'-P energy: -106.645
tors. eta vs tors. theta energy: -177.812
Dist. restrs. and SS energy: 3.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1978.287145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.287145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.307294 (E_RNA)
where:
Base-Base interactions energy: -1354.274
where: short stacking energy: -572.023
Base-Backbone interact. energy: 0.121
local terms energy: -626.154468
where:
bonds (distance) C4'-P energy: -124.060
bonds (distance) P-C4' energy: -114.538
flat angles C4'-P-C4' energy: -156.054
flat angles P-C4'-P energy: -80.236
tors. eta vs tors. theta energy: -151.266
Dist. restrs. and SS energy: 2.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1877.053858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.053858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.991732 (E_RNA)
where:
Base-Base interactions energy: -1296.513
where: short stacking energy: -515.867
Base-Backbone interact. energy: 6.927
local terms energy: -589.405718
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -136.598
flat angles C4'-P-C4' energy: -151.674
flat angles P-C4'-P energy: -88.178
tors. eta vs tors. theta energy: -100.876
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: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2974.425903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.425903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.195490 (E_RNA)
where:
Base-Base interactions energy: -2092.217
where: short stacking energy: -845.583
Base-Backbone interact. energy: -6.146
local terms energy: -877.833082
where:
bonds (distance) C4'-P energy: -156.840
bonds (distance) P-C4' energy: -176.810
flat angles C4'-P-C4' energy: -172.466
flat angles P-C4'-P energy: -123.391
tors. eta vs tors. theta energy: -248.326
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2873.728374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.728374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.899278 (E_RNA)
where:
Base-Base interactions energy: -1999.300
where: short stacking energy: -832.975
Base-Backbone interact. energy: -4.852
local terms energy: -871.746888
where:
bonds (distance) C4'-P energy: -154.795
bonds (distance) P-C4' energy: -159.179
flat angles C4'-P-C4' energy: -189.253
flat angles P-C4'-P energy: -120.746
tors. eta vs tors. theta energy: -247.774
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2724.411901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.411901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.506147 (E_RNA)
where:
Base-Base interactions energy: -1916.305
where: short stacking energy: -793.672
Base-Backbone interact. energy: -0.824
local terms energy: -809.376929
where:
bonds (distance) C4'-P energy: -142.416
bonds (distance) P-C4' energy: -139.081
flat angles C4'-P-C4' energy: -181.036
flat angles P-C4'-P energy: -109.080
tors. eta vs tors. theta energy: -237.764
Dist. restrs. and SS energy: 2.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2614.097382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.097382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.785298 (E_RNA)
where:
Base-Base interactions energy: -1818.689
where: short stacking energy: -774.453
Base-Backbone interact. energy: -0.562
local terms energy: -796.533502
where:
bonds (distance) C4'-P energy: -162.401
bonds (distance) P-C4' energy: -125.166
flat angles C4'-P-C4' energy: -183.432
flat angles P-C4'-P energy: -101.116
tors. eta vs tors. theta energy: -224.419
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: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2413.362993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.362993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.685057 (E_RNA)
where:
Base-Base interactions energy: -1648.587
where: short stacking energy: -693.789
Base-Backbone interact. energy: 4.695
local terms energy: -771.792733
where:
bonds (distance) C4'-P energy: -148.676
bonds (distance) P-C4' energy: -153.499
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -204.647
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: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2305.498238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.532595 (E_RNA)
where:
Base-Base interactions energy: -1572.208
where: short stacking energy: -649.032
Base-Backbone interact. energy: -0.394
local terms energy: -734.930367
where:
bonds (distance) C4'-P energy: -148.183
bonds (distance) P-C4' energy: -140.096
flat angles C4'-P-C4' energy: -164.599
flat angles P-C4'-P energy: -97.007
tors. eta vs tors. theta energy: -185.045
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2130.433499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.433499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.652753 (E_RNA)
where:
Base-Base interactions energy: -1491.236
where: short stacking energy: -650.441
Base-Backbone interact. energy: 2.556
local terms energy: -643.972051
where:
bonds (distance) C4'-P energy: -113.021
bonds (distance) P-C4' energy: -139.893
flat angles C4'-P-C4' energy: -124.209
flat angles P-C4'-P energy: -105.942
tors. eta vs tors. theta energy: -160.908
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: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2106.863283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.863283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.266477 (E_RNA)
where:
Base-Base interactions energy: -1420.866
where: short stacking energy: -592.994
Base-Backbone interact. energy: 0.352
local terms energy: -688.752696
where:
bonds (distance) C4'-P energy: -127.787
bonds (distance) P-C4' energy: -138.286
flat angles C4'-P-C4' energy: -164.217
flat angles P-C4'-P energy: -95.424
tors. eta vs tors. theta energy: -163.039
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: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1921.246861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.246861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.049528 (E_RNA)
where:
Base-Base interactions energy: -1304.067
where: short stacking energy: -551.723
Base-Backbone interact. energy: -1.597
local terms energy: -618.385440
where:
bonds (distance) C4'-P energy: -123.476
bonds (distance) P-C4' energy: -110.745
flat angles C4'-P-C4' energy: -162.619
flat angles P-C4'-P energy: -87.975
tors. eta vs tors. theta energy: -133.570
Dist. restrs. and SS energy: 2.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1841.125896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.125896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.426875 (E_RNA)
where:
Base-Base interactions energy: -1263.109
where: short stacking energy: -517.744
Base-Backbone interact. energy: -1.067
local terms energy: -580.250831
where:
bonds (distance) C4'-P energy: -127.997
bonds (distance) P-C4' energy: -129.315
flat angles C4'-P-C4' energy: -128.182
flat angles P-C4'-P energy: -84.150
tors. eta vs tors. theta energy: -110.605
Dist. restrs. and SS energy: 3.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2972.642562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.642562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.948827 (E_RNA)
where:
Base-Base interactions energy: -2068.518
where: short stacking energy: -858.754
Base-Backbone interact. energy: -4.459
local terms energy: -901.972351
where:
bonds (distance) C4'-P energy: -165.595
bonds (distance) P-C4' energy: -159.164
flat angles C4'-P-C4' energy: -194.189
flat angles P-C4'-P energy: -129.843
tors. eta vs tors. theta energy: -253.182
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2842.518646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.518646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.170590 (E_RNA)
where:
Base-Base interactions energy: -1968.667
where: short stacking energy: -837.758
Base-Backbone interact. energy: -5.121
local terms energy: -870.382499
where:
bonds (distance) C4'-P energy: -153.056
bonds (distance) P-C4' energy: -160.343
flat angles C4'-P-C4' energy: -183.945
flat angles P-C4'-P energy: -128.691
tors. eta vs tors. theta energy: -244.347
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2674.036507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.036507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.800246 (E_RNA)
where:
Base-Base interactions energy: -1813.076
where: short stacking energy: -765.997
Base-Backbone interact. energy: 0.291
local terms energy: -865.015146
where:
bonds (distance) C4'-P energy: -151.604
bonds (distance) P-C4' energy: -156.230
flat angles C4'-P-C4' energy: -193.747
flat angles P-C4'-P energy: -128.168
tors. eta vs tors. theta energy: -235.266
Dist. restrs. and SS energy: 3.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2603.240809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.240809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.771015 (E_RNA)
where:
Base-Base interactions energy: -1783.710
where: short stacking energy: -740.287
Base-Backbone interact. energy: 1.758
local terms energy: -823.818767
where:
bonds (distance) C4'-P energy: -153.715
bonds (distance) P-C4' energy: -148.087
flat angles C4'-P-C4' energy: -176.801
flat angles P-C4'-P energy: -119.876
tors. eta vs tors. theta energy: -225.339
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: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2393.563132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.563132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.660507 (E_RNA)
where:
Base-Base interactions energy: -1643.673
where: short stacking energy: -694.753
Base-Backbone interact. energy: 6.816
local terms energy: -758.803570
where:
bonds (distance) C4'-P energy: -145.188
bonds (distance) P-C4' energy: -147.502
flat angles C4'-P-C4' energy: -172.657
flat angles P-C4'-P energy: -109.046
tors. eta vs tors. theta energy: -184.411
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: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2268.108049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.108049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.057106 (E_RNA)
where:
Base-Base interactions energy: -1575.491
where: short stacking energy: -669.047
Base-Backbone interact. energy: -1.703
local terms energy: -692.862951
where:
bonds (distance) C4'-P energy: -113.908
bonds (distance) P-C4' energy: -141.686
flat angles C4'-P-C4' energy: -155.585
flat angles P-C4'-P energy: -90.786
tors. eta vs tors. theta energy: -190.898
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2128.700687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.700687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.379075 (E_RNA)
where:
Base-Base interactions energy: -1472.293
where: short stacking energy: -592.918
Base-Backbone interact. energy: 8.499
local terms energy: -667.584811
where:
bonds (distance) C4'-P energy: -135.414
bonds (distance) P-C4' energy: -143.551
flat angles C4'-P-C4' energy: -154.088
flat angles P-C4'-P energy: -90.224
tors. eta vs tors. theta energy: -144.308
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: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2082.483527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.483527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.572513 (E_RNA)
where:
Base-Base interactions energy: -1398.293
where: short stacking energy: -598.765
Base-Backbone interact. energy: 0.322
local terms energy: -686.601715
where:
bonds (distance) C4'-P energy: -124.201
bonds (distance) P-C4' energy: -151.762
flat angles C4'-P-C4' energy: -158.094
flat angles P-C4'-P energy: -94.753
tors. eta vs tors. theta energy: -157.791
Dist. restrs. and SS energy: 2.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1958.070754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.070754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.542259 (E_RNA)
where:
Base-Base interactions energy: -1342.134
where: short stacking energy: -575.784
Base-Backbone interact. energy: 0.167
local terms energy: -619.575301
where:
bonds (distance) C4'-P energy: -122.963
bonds (distance) P-C4' energy: -135.906
flat angles C4'-P-C4' energy: -143.829
flat angles P-C4'-P energy: -79.621
tors. eta vs tors. theta energy: -137.256
Dist. restrs. and SS energy: 3.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1903.477482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.477482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.636436 (E_RNA)
where:
Base-Base interactions energy: -1301.901
where: short stacking energy: -516.021
Base-Backbone interact. energy: 3.795
local terms energy: -607.530776
where:
bonds (distance) C4'-P energy: -124.163
bonds (distance) P-C4' energy: -143.089
flat angles C4'-P-C4' energy: -125.634
flat angles P-C4'-P energy: -76.243
tors. eta vs tors. theta energy: -138.402
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2972.764751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.764751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.724794 (E_RNA)
where:
Base-Base interactions energy: -2089.785
where: short stacking energy: -850.843
Base-Backbone interact. energy: -5.022
local terms energy: -879.918468
where:
bonds (distance) C4'-P energy: -168.154
bonds (distance) P-C4' energy: -163.209
flat angles C4'-P-C4' energy: -183.518
flat angles P-C4'-P energy: -113.366
tors. eta vs tors. theta energy: -251.671
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2870.869754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.869754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.071240 (E_RNA)
where:
Base-Base interactions energy: -1989.045
where: short stacking energy: -846.924
Base-Backbone interact. energy: -3.669
local terms energy: -881.357969
where:
bonds (distance) C4'-P energy: -158.868
bonds (distance) P-C4' energy: -158.458
flat angles C4'-P-C4' energy: -181.572
flat angles P-C4'-P energy: -126.631
tors. eta vs tors. theta energy: -255.829
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2718.070223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.070223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.731207 (E_RNA)
where:
Base-Base interactions energy: -1875.501
where: short stacking energy: -813.516
Base-Backbone interact. energy: -3.521
local terms energy: -841.709497
where:
bonds (distance) C4'-P energy: -150.973
bonds (distance) P-C4' energy: -148.455
flat angles C4'-P-C4' energy: -185.402
flat angles P-C4'-P energy: -120.946
tors. eta vs tors. theta energy: -235.934
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: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2557.225728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.225728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.797039 (E_RNA)
where:
Base-Base interactions energy: -1767.721
where: short stacking energy: -762.716
Base-Backbone interact. energy: -0.619
local terms energy: -791.457122
where:
bonds (distance) C4'-P energy: -137.148
bonds (distance) P-C4' energy: -150.196
flat angles C4'-P-C4' energy: -173.074
flat angles P-C4'-P energy: -117.860
tors. eta vs tors. theta energy: -213.180
Dist. restrs. and SS energy: 2.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2414.159297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.159297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.629890 (E_RNA)
where:
Base-Base interactions energy: -1649.235
where: short stacking energy: -723.349
Base-Backbone interact. energy: 11.657
local terms energy: -780.051967
where:
bonds (distance) C4'-P energy: -138.594
bonds (distance) P-C4' energy: -150.335
flat angles C4'-P-C4' energy: -169.166
flat angles P-C4'-P energy: -109.766
tors. eta vs tors. theta energy: -212.191
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2296.366264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.366264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.649760 (E_RNA)
where:
Base-Base interactions energy: -1568.431
where: short stacking energy: -656.979
Base-Backbone interact. energy: -4.483
local terms energy: -725.736463
where:
bonds (distance) C4'-P energy: -146.480
bonds (distance) P-C4' energy: -127.828
flat angles C4'-P-C4' energy: -159.992
flat angles P-C4'-P energy: -104.594
tors. eta vs tors. theta energy: -186.843
Dist. restrs. and SS energy: 2.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2080.046194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.046194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.997392 (E_RNA)
where:
Base-Base interactions energy: -1443.304
where: short stacking energy: -619.312
Base-Backbone interact. energy: 7.260
local terms energy: -645.953210
where:
bonds (distance) C4'-P energy: -129.712
bonds (distance) P-C4' energy: -136.320
flat angles C4'-P-C4' energy: -145.847
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: -149.524
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: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1979.042311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.042311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.597668 (E_RNA)
where:
Base-Base interactions energy: -1361.579
where: short stacking energy: -583.731
Base-Backbone interact. energy: -1.474
local terms energy: -617.543987
where:
bonds (distance) C4'-P energy: -117.145
bonds (distance) P-C4' energy: -128.476
flat angles C4'-P-C4' energy: -138.745
flat angles P-C4'-P energy: -92.527
tors. eta vs tors. theta energy: -140.651
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: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1953.629378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.629378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.933872 (E_RNA)
where:
Base-Base interactions energy: -1326.373
where: short stacking energy: -554.390
Base-Backbone interact. energy: 2.755
local terms energy: -634.315887
where:
bonds (distance) C4'-P energy: -130.196
bonds (distance) P-C4' energy: -138.423
flat angles C4'-P-C4' energy: -128.674
flat angles P-C4'-P energy: -76.840
tors. eta vs tors. theta energy: -160.183
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: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1843.956145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.956145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.230717 (E_RNA)
where:
Base-Base interactions energy: -1271.344
where: short stacking energy: -539.304
Base-Backbone interact. energy: 0.028
local terms energy: -576.914308
where:
bonds (distance) C4'-P energy: -130.932
bonds (distance) P-C4' energy: -129.407
flat angles C4'-P-C4' energy: -132.548
flat angles P-C4'-P energy: -61.094
tors. eta vs tors. theta energy: -122.934
Dist. restrs. and SS energy: 4.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2947.123140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.123140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.531010 (E_RNA)
where:
Base-Base interactions energy: -2008.604
where: short stacking energy: -825.657
Base-Backbone interact. energy: -6.889
local terms energy: -934.037751
where:
bonds (distance) C4'-P energy: -185.357
bonds (distance) P-C4' energy: -175.985
flat angles C4'-P-C4' energy: -190.773
flat angles P-C4'-P energy: -128.691
tors. eta vs tors. theta energy: -253.232
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: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2832.843344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.843344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.585140 (E_RNA)
where:
Base-Base interactions energy: -1973.656
where: short stacking energy: -790.004
Base-Backbone interact. energy: -0.746
local terms energy: -861.183363
where:
bonds (distance) C4'-P energy: -150.969
bonds (distance) P-C4' energy: -166.523
flat angles C4'-P-C4' energy: -184.039
flat angles P-C4'-P energy: -126.412
tors. eta vs tors. theta energy: -233.240
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2697.810110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.810110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.989218 (E_RNA)
where:
Base-Base interactions energy: -1843.389
where: short stacking energy: -782.578
Base-Backbone interact. energy: 2.051
local terms energy: -859.651747
where:
bonds (distance) C4'-P energy: -149.274
bonds (distance) P-C4' energy: -156.683
flat angles C4'-P-C4' energy: -182.043
flat angles P-C4'-P energy: -117.411
tors. eta vs tors. theta energy: -254.240
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2598.647849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.647849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.894490 (E_RNA)
where:
Base-Base interactions energy: -1798.008
where: short stacking energy: -745.139
Base-Backbone interact. energy: 5.142
local terms energy: -808.028007
where:
bonds (distance) C4'-P energy: -144.038
bonds (distance) P-C4' energy: -153.558
flat angles C4'-P-C4' energy: -179.147
flat angles P-C4'-P energy: -103.419
tors. eta vs tors. theta energy: -227.866
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2448.629536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.629536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.504745 (E_RNA)
where:
Base-Base interactions energy: -1675.666
where: short stacking energy: -710.708
Base-Backbone interact. energy: -3.319
local terms energy: -771.519885
where:
bonds (distance) C4'-P energy: -132.577
bonds (distance) P-C4' energy: -152.768
flat angles C4'-P-C4' energy: -169.577
flat angles P-C4'-P energy: -112.435
tors. eta vs tors. theta energy: -204.163
Dist. restrs. and SS energy: 1.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2281.778607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.778607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.525138 (E_RNA)
where:
Base-Base interactions energy: -1583.337
where: short stacking energy: -639.269
Base-Backbone interact. energy: -0.827
local terms energy: -702.361432
where:
bonds (distance) C4'-P energy: -147.400
bonds (distance) P-C4' energy: -134.879
flat angles C4'-P-C4' energy: -170.134
flat angles P-C4'-P energy: -88.273
tors. eta vs tors. theta energy: -161.676
Dist. restrs. and SS energy: 4.747 (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: 469
Temperature: 1.200000
Total energy: -2159.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.939096 (E_RNA)
where:
Base-Base interactions energy: -1457.955
where: short stacking energy: -598.938
Base-Backbone interact. energy: 0.405
local terms energy: -704.389397
where:
bonds (distance) C4'-P energy: -133.756
bonds (distance) P-C4' energy: -149.223
flat angles C4'-P-C4' energy: -154.237
flat angles P-C4'-P energy: -101.203
tors. eta vs tors. theta energy: -165.971
Dist. restrs. and SS energy: 2.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2047.607549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.607549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.071885 (E_RNA)
where:
Base-Base interactions energy: -1398.512
where: short stacking energy: -599.980
Base-Backbone interact. energy: 1.527
local terms energy: -653.086504
where:
bonds (distance) C4'-P energy: -115.903
bonds (distance) P-C4' energy: -123.937
flat angles C4'-P-C4' energy: -162.665
flat angles P-C4'-P energy: -89.249
tors. eta vs tors. theta energy: -161.332
Dist. restrs. and SS energy: 2.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1919.179624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.179624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.465278 (E_RNA)
where:
Base-Base interactions energy: -1285.354
where: short stacking energy: -523.848
Base-Backbone interact. energy: -0.949
local terms energy: -635.162233
where:
bonds (distance) C4'-P energy: -136.062
bonds (distance) P-C4' energy: -129.844
flat angles C4'-P-C4' energy: -142.369
flat angles P-C4'-P energy: -97.743
tors. eta vs tors. theta energy: -129.144
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: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1833.320189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.320189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.417178 (E_RNA)
where:
Base-Base interactions energy: -1259.177
where: short stacking energy: -504.979
Base-Backbone interact. energy: -2.429
local terms energy: -575.811845
where:
bonds (distance) C4'-P energy: -125.025
bonds (distance) P-C4' energy: -147.488
flat angles C4'-P-C4' energy: -116.621
flat angles P-C4'-P energy: -72.172
tors. eta vs tors. theta energy: -114.507
Dist. restrs. and SS energy: 4.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2946.922802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.922802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.431460 (E_RNA)
where:
Base-Base interactions energy: -2065.381
where: short stacking energy: -837.747
Base-Backbone interact. energy: 1.616
local terms energy: -885.666400
where:
bonds (distance) C4'-P energy: -172.860
bonds (distance) P-C4' energy: -171.704
flat angles C4'-P-C4' energy: -187.486
flat angles P-C4'-P energy: -101.394
tors. eta vs tors. theta energy: -252.223
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2816.562284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.562284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.829180 (E_RNA)
where:
Base-Base interactions energy: -1943.962
where: short stacking energy: -803.500
Base-Backbone interact. energy: -4.468
local terms energy: -871.399120
where:
bonds (distance) C4'-P energy: -152.499
bonds (distance) P-C4' energy: -159.267
flat angles C4'-P-C4' energy: -188.640
flat angles P-C4'-P energy: -123.226
tors. eta vs tors. theta energy: -247.767
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: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2732.283285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.283285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.940535 (E_RNA)
where:
Base-Base interactions energy: -1875.278
where: short stacking energy: -788.177
Base-Backbone interact. energy: -0.823
local terms energy: -858.839465
where:
bonds (distance) C4'-P energy: -153.769
bonds (distance) P-C4' energy: -162.925
flat angles C4'-P-C4' energy: -183.477
flat angles P-C4'-P energy: -115.072
tors. eta vs tors. theta energy: -243.596
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2627.366234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.366234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.431835 (E_RNA)
where:
Base-Base interactions energy: -1826.678
where: short stacking energy: -748.897
Base-Backbone interact. energy: -2.734
local terms energy: -800.019990
where:
bonds (distance) C4'-P energy: -136.342
bonds (distance) P-C4' energy: -152.378
flat angles C4'-P-C4' energy: -180.404
flat angles P-C4'-P energy: -114.071
tors. eta vs tors. theta energy: -216.825
Dist. restrs. and SS energy: 2.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2403.109452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.109452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.301028 (E_RNA)
where:
Base-Base interactions energy: -1639.336
where: short stacking energy: -697.743
Base-Backbone interact. energy: -1.189
local terms energy: -764.776198
where:
bonds (distance) C4'-P energy: -127.240
bonds (distance) P-C4' energy: -156.079
flat angles C4'-P-C4' energy: -172.460
flat angles P-C4'-P energy: -122.338
tors. eta vs tors. theta energy: -186.659
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2313.549687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.549687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.786499 (E_RNA)
where:
Base-Base interactions energy: -1625.276
where: short stacking energy: -711.278
Base-Backbone interact. energy: 0.665
local terms energy: -691.175773
where:
bonds (distance) C4'-P energy: -133.361
bonds (distance) P-C4' energy: -134.550
flat angles C4'-P-C4' energy: -146.956
flat angles P-C4'-P energy: -80.658
tors. eta vs tors. theta energy: -195.650
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: 470
Temperature: 1.200000
Total energy: -2134.140265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.140265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.264115 (E_RNA)
where:
Base-Base interactions energy: -1451.846
where: short stacking energy: -633.703
Base-Backbone interact. energy: -2.237
local terms energy: -682.180875
where:
bonds (distance) C4'-P energy: -128.982
bonds (distance) P-C4' energy: -148.038
flat angles C4'-P-C4' energy: -160.955
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -166.593
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1983.281238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.281238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.707798 (E_RNA)
where:
Base-Base interactions energy: -1336.219
where: short stacking energy: -595.240
Base-Backbone interact. energy: 2.739
local terms energy: -652.227471
where:
bonds (distance) C4'-P energy: -127.952
bonds (distance) P-C4' energy: -152.136
flat angles C4'-P-C4' energy: -137.999
flat angles P-C4'-P energy: -75.519
tors. eta vs tors. theta energy: -158.621
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: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1957.760233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.760233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.475995 (E_RNA)
where:
Base-Base interactions energy: -1337.781
where: short stacking energy: -556.100
Base-Backbone interact. energy: 7.532
local terms energy: -632.226718
where:
bonds (distance) C4'-P energy: -127.198
bonds (distance) P-C4' energy: -144.083
flat angles C4'-P-C4' energy: -140.100
flat angles P-C4'-P energy: -89.344
tors. eta vs tors. theta energy: -131.502
Dist. restrs. and SS energy: 4.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1816.468812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.468812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.114304 (E_RNA)
where:
Base-Base interactions energy: -1236.705
where: short stacking energy: -522.651
Base-Backbone interact. energy: 0.051
local terms energy: -584.460022
where:
bonds (distance) C4'-P energy: -132.957
bonds (distance) P-C4' energy: -123.595
flat angles C4'-P-C4' energy: -134.648
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -113.959
Dist. restrs. and SS energy: 4.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2952.415532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.415532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.443737 (E_RNA)
where:
Base-Base interactions energy: -2075.227
where: short stacking energy: -868.487
Base-Backbone interact. energy: -5.887
local terms energy: -873.330022
where:
bonds (distance) C4'-P energy: -154.813
bonds (distance) P-C4' energy: -164.628
flat angles C4'-P-C4' energy: -187.812
flat angles P-C4'-P energy: -116.504
tors. eta vs tors. theta energy: -249.573
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: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2830.766325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.766325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.087609 (E_RNA)
where:
Base-Base interactions energy: -1979.582
where: short stacking energy: -838.791
Base-Backbone interact. energy: -1.005
local terms energy: -851.501074
where:
bonds (distance) C4'-P energy: -152.592
bonds (distance) P-C4' energy: -144.540
flat angles C4'-P-C4' energy: -174.592
flat angles P-C4'-P energy: -131.303
tors. eta vs tors. theta energy: -248.475
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: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2735.347502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.347502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.460151 (E_RNA)
where:
Base-Base interactions energy: -1890.403
where: short stacking energy: -801.886
Base-Backbone interact. energy: -3.033
local terms energy: -845.024897
where:
bonds (distance) C4'-P energy: -138.978
bonds (distance) P-C4' energy: -177.502
flat angles C4'-P-C4' energy: -174.000
flat angles P-C4'-P energy: -122.938
tors. eta vs tors. theta energy: -231.608
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2598.788704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.788704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.585344 (E_RNA)
where:
Base-Base interactions energy: -1805.037
where: short stacking energy: -761.061
Base-Backbone interact. energy: -1.686
local terms energy: -793.862358
where:
bonds (distance) C4'-P energy: -131.394
bonds (distance) P-C4' energy: -142.083
flat angles C4'-P-C4' energy: -182.705
flat angles P-C4'-P energy: -112.075
tors. eta vs tors. theta energy: -225.606
Dist. restrs. and SS energy: 1.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2368.892018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.892018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.971859 (E_RNA)
where:
Base-Base interactions energy: -1609.465
where: short stacking energy: -701.278
Base-Backbone interact. energy: 4.587
local terms energy: -767.093890
where:
bonds (distance) C4'-P energy: -144.330
bonds (distance) P-C4' energy: -154.086
flat angles C4'-P-C4' energy: -170.571
flat angles P-C4'-P energy: -101.520
tors. eta vs tors. theta energy: -196.588
Dist. restrs. and SS energy: 3.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2286.897387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.897387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.495790 (E_RNA)
where:
Base-Base interactions energy: -1590.690
where: short stacking energy: -682.584
Base-Backbone interact. energy: -0.200
local terms energy: -698.605905
where:
bonds (distance) C4'-P energy: -126.221
bonds (distance) P-C4' energy: -138.701
flat angles C4'-P-C4' energy: -152.563
flat angles P-C4'-P energy: -89.907
tors. eta vs tors. theta energy: -191.214
Dist. restrs. and SS energy: 2.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2158.435235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.435235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.781461 (E_RNA)
where:
Base-Base interactions energy: -1484.569
where: short stacking energy: -658.127
Base-Backbone interact. energy: 3.759
local terms energy: -680.971158
where:
bonds (distance) C4'-P energy: -137.428
bonds (distance) P-C4' energy: -153.217
flat angles C4'-P-C4' energy: -135.369
flat angles P-C4'-P energy: -76.272
tors. eta vs tors. theta energy: -178.685
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: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2039.576563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.576563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.024823 (E_RNA)
where:
Base-Base interactions energy: -1356.450
where: short stacking energy: -590.040
Base-Backbone interact. energy: -3.349
local terms energy: -682.225920
where:
bonds (distance) C4'-P energy: -131.321
bonds (distance) P-C4' energy: -155.515
flat angles C4'-P-C4' energy: -145.400
flat angles P-C4'-P energy: -82.168
tors. eta vs tors. theta energy: -167.821
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: 471
Temperature: 1.300000
Total energy: -1973.454442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.454442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.194850 (E_RNA)
where:
Base-Base interactions energy: -1344.088
where: short stacking energy: -560.244
Base-Backbone interact. energy: -0.202
local terms energy: -632.904374
where:
bonds (distance) C4'-P energy: -128.857
bonds (distance) P-C4' energy: -137.616
flat angles C4'-P-C4' energy: -129.457
flat angles P-C4'-P energy: -92.369
tors. eta vs tors. theta energy: -144.605
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1835.094998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.094998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.863066 (E_RNA)
where:
Base-Base interactions energy: -1286.351
where: short stacking energy: -508.147
Base-Backbone interact. energy: -0.314
local terms energy: -551.198221
where:
bonds (distance) C4'-P energy: -101.431
bonds (distance) P-C4' energy: -103.880
flat angles C4'-P-C4' energy: -122.051
flat angles P-C4'-P energy: -95.328
tors. eta vs tors. theta energy: -128.510
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: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2969.473767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.473767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2972.590827 (E_RNA)
where:
Base-Base interactions energy: -2095.587
where: short stacking energy: -861.442
Base-Backbone interact. energy: -3.173
local terms energy: -873.831297
where:
bonds (distance) C4'-P energy: -159.004
bonds (distance) P-C4' energy: -167.249
flat angles C4'-P-C4' energy: -173.716
flat angles P-C4'-P energy: -122.327
tors. eta vs tors. theta energy: -251.535
Dist. restrs. and SS energy: 3.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2817.412355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.412355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.363077 (E_RNA)
where:
Base-Base interactions energy: -1970.978
where: short stacking energy: -847.536
Base-Backbone interact. energy: -1.235
local terms energy: -847.150834
where:
bonds (distance) C4'-P energy: -152.323
bonds (distance) P-C4' energy: -140.176
flat angles C4'-P-C4' energy: -185.493
flat angles P-C4'-P energy: -117.301
tors. eta vs tors. theta energy: -251.859
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: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2706.776260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.776260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.445061 (E_RNA)
where:
Base-Base interactions energy: -1859.765
where: short stacking energy: -774.960
Base-Backbone interact. energy: -0.024
local terms energy: -849.655607
where:
bonds (distance) C4'-P energy: -153.259
bonds (distance) P-C4' energy: -164.234
flat angles C4'-P-C4' energy: -170.145
flat angles P-C4'-P energy: -120.026
tors. eta vs tors. theta energy: -241.992
Dist. restrs. and SS energy: 2.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2670.373947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.373947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.961333 (E_RNA)
where:
Base-Base interactions energy: -1847.205
where: short stacking energy: -793.244
Base-Backbone interact. energy: -3.943
local terms energy: -820.813297
where:
bonds (distance) C4'-P energy: -156.231
bonds (distance) P-C4' energy: -147.621
flat angles C4'-P-C4' energy: -178.401
flat angles P-C4'-P energy: -96.112
tors. eta vs tors. theta energy: -242.449
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: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2383.345344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.345344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.868524 (E_RNA)
where:
Base-Base interactions energy: -1609.866
where: short stacking energy: -699.227
Base-Backbone interact. energy: -2.549
local terms energy: -773.453643
where:
bonds (distance) C4'-P energy: -136.470
bonds (distance) P-C4' energy: -155.911
flat angles C4'-P-C4' energy: -165.741
flat angles P-C4'-P energy: -103.711
tors. eta vs tors. theta energy: -211.620
Dist. restrs. and SS energy: 2.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2345.426001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.426001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.922720 (E_RNA)
where:
Base-Base interactions energy: -1625.545
where: short stacking energy: -712.442
Base-Backbone interact. energy: 1.054
local terms energy: -722.431210
where:
bonds (distance) C4'-P energy: -128.746
bonds (distance) P-C4' energy: -141.519
flat angles C4'-P-C4' energy: -161.618
flat angles P-C4'-P energy: -87.048
tors. eta vs tors. theta energy: -203.501
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2152.828989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.828989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.190857 (E_RNA)
where:
Base-Base interactions energy: -1465.718
where: short stacking energy: -596.783
Base-Backbone interact. energy: -0.049
local terms energy: -690.424551
where:
bonds (distance) C4'-P energy: -124.299
bonds (distance) P-C4' energy: -134.002
flat angles C4'-P-C4' energy: -160.841
flat angles P-C4'-P energy: -112.291
tors. eta vs tors. theta energy: -158.992
Dist. restrs. and SS energy: 3.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2022.395053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.395053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.775620 (E_RNA)
where:
Base-Base interactions energy: -1351.158
where: short stacking energy: -588.041
Base-Backbone interact. energy: -0.194
local terms energy: -674.423788
where:
bonds (distance) C4'-P energy: -131.330
bonds (distance) P-C4' energy: -124.148
flat angles C4'-P-C4' energy: -164.346
flat angles P-C4'-P energy: -88.109
tors. eta vs tors. theta energy: -166.492
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1974.382795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.382795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.547991 (E_RNA)
where:
Base-Base interactions energy: -1351.052
where: short stacking energy: -571.524
Base-Backbone interact. energy: -0.301
local terms energy: -625.194227
where:
bonds (distance) C4'-P energy: -127.764
bonds (distance) P-C4' energy: -125.870
flat angles C4'-P-C4' energy: -145.138
flat angles P-C4'-P energy: -72.463
tors. eta vs tors. theta energy: -153.960
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: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1813.565900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.565900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.297106 (E_RNA)
where:
Base-Base interactions energy: -1222.768
where: short stacking energy: -502.448
Base-Backbone interact. energy: -4.330
local terms energy: -591.198959
where:
bonds (distance) C4'-P energy: -131.156
bonds (distance) P-C4' energy: -161.196
flat angles C4'-P-C4' energy: -116.395
flat angles P-C4'-P energy: -67.311
tors. eta vs tors. theta energy: -115.141
Dist. restrs. and SS energy: 4.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2944.999681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.999681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.900494 (E_RNA)
where:
Base-Base interactions energy: -2064.155
where: short stacking energy: -846.079
Base-Backbone interact. energy: -4.599
local terms energy: -878.146800
where:
bonds (distance) C4'-P energy: -148.024
bonds (distance) P-C4' energy: -174.763
flat angles C4'-P-C4' energy: -182.844
flat angles P-C4'-P energy: -123.017
tors. eta vs tors. theta energy: -249.500
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: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2829.829953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.829953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.956915 (E_RNA)
where:
Base-Base interactions energy: -1965.819
where: short stacking energy: -814.269
Base-Backbone interact. energy: -3.436
local terms energy: -862.702078
where:
bonds (distance) C4'-P energy: -156.992
bonds (distance) P-C4' energy: -173.912
flat angles C4'-P-C4' energy: -171.783
flat angles P-C4'-P energy: -116.852
tors. eta vs tors. theta energy: -243.164
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2728.883019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.883019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.816589 (E_RNA)
where:
Base-Base interactions energy: -1882.906
where: short stacking energy: -814.380
Base-Backbone interact. energy: -1.681
local terms energy: -846.229276
where:
bonds (distance) C4'-P energy: -150.291
bonds (distance) P-C4' energy: -144.385
flat angles C4'-P-C4' energy: -187.981
flat angles P-C4'-P energy: -118.200
tors. eta vs tors. theta energy: -245.373
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2627.816421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.816421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.118222 (E_RNA)
where:
Base-Base interactions energy: -1776.050
where: short stacking energy: -749.485
Base-Backbone interact. energy: -2.249
local terms energy: -850.819093
where:
bonds (distance) C4'-P energy: -153.626
bonds (distance) P-C4' energy: -147.958
flat angles C4'-P-C4' energy: -186.510
flat angles P-C4'-P energy: -124.235
tors. eta vs tors. theta energy: -238.492
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2378.908233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.908233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.007456 (E_RNA)
where:
Base-Base interactions energy: -1638.954
where: short stacking energy: -673.895
Base-Backbone interact. energy: -1.883
local terms energy: -741.169994
where:
bonds (distance) C4'-P energy: -134.243
bonds (distance) P-C4' energy: -134.272
flat angles C4'-P-C4' energy: -172.036
flat angles P-C4'-P energy: -114.430
tors. eta vs tors. theta energy: -186.189
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2292.026893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.026893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.464914 (E_RNA)
where:
Base-Base interactions energy: -1567.920
where: short stacking energy: -658.563
Base-Backbone interact. energy: -0.579
local terms energy: -725.966171
where:
bonds (distance) C4'-P energy: -145.992
bonds (distance) P-C4' energy: -141.673
flat angles C4'-P-C4' energy: -151.010
flat angles P-C4'-P energy: -94.809
tors. eta vs tors. theta energy: -192.481
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2166.500637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.500637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.669772 (E_RNA)
where:
Base-Base interactions energy: -1447.680
where: short stacking energy: -614.392
Base-Backbone interact. energy: -3.527
local terms energy: -717.463111
where:
bonds (distance) C4'-P energy: -132.225
bonds (distance) P-C4' energy: -137.574
flat angles C4'-P-C4' energy: -154.988
flat angles P-C4'-P energy: -113.577
tors. eta vs tors. theta energy: -179.098
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2011.250233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.250233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.720045 (E_RNA)
where:
Base-Base interactions energy: -1340.192
where: short stacking energy: -569.550
Base-Backbone interact. energy: 4.150
local terms energy: -678.678962
where:
bonds (distance) C4'-P energy: -147.441
bonds (distance) P-C4' energy: -129.772
flat angles C4'-P-C4' energy: -161.190
flat angles P-C4'-P energy: -99.214
tors. eta vs tors. theta energy: -141.062
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: 473
Temperature: 1.300000
Total energy: -1965.702741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.702741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.512981 (E_RNA)
where:
Base-Base interactions energy: -1323.536
where: short stacking energy: -555.680
Base-Backbone interact. energy: -1.204
local terms energy: -643.772722
where:
bonds (distance) C4'-P energy: -140.396
bonds (distance) P-C4' energy: -135.683
flat angles C4'-P-C4' energy: -124.122
flat angles P-C4'-P energy: -88.260
tors. eta vs tors. theta energy: -155.312
Dist. restrs. and SS energy: 2.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1906.027714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.027714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.025408 (E_RNA)
where:
Base-Base interactions energy: -1288.226
where: short stacking energy: -529.896
Base-Backbone interact. energy: -0.837
local terms energy: -619.962262
where:
bonds (distance) C4'-P energy: -119.965
bonds (distance) P-C4' energy: -143.103
flat angles C4'-P-C4' energy: -145.244
flat angles P-C4'-P energy: -83.489
tors. eta vs tors. theta energy: -128.161
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2945.517528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.517528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.433548 (E_RNA)
where:
Base-Base interactions energy: -2051.818
where: short stacking energy: -852.072
Base-Backbone interact. energy: -3.527
local terms energy: -893.087989
where:
bonds (distance) C4'-P energy: -174.588
bonds (distance) P-C4' energy: -162.476
flat angles C4'-P-C4' energy: -176.420
flat angles P-C4'-P energy: -134.326
tors. eta vs tors. theta energy: -245.278
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: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2817.817643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.817643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.870689 (E_RNA)
where:
Base-Base interactions energy: -1977.888
where: short stacking energy: -807.817
Base-Backbone interact. energy: -3.158
local terms energy: -839.824874
where:
bonds (distance) C4'-P energy: -155.971
bonds (distance) P-C4' energy: -170.361
flat angles C4'-P-C4' energy: -164.549
flat angles P-C4'-P energy: -112.141
tors. eta vs tors. theta energy: -236.803
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2698.466155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.466155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.358872 (E_RNA)
where:
Base-Base interactions energy: -1855.433
where: short stacking energy: -785.840
Base-Backbone interact. energy: -2.417
local terms energy: -842.509307
where:
bonds (distance) C4'-P energy: -144.571
bonds (distance) P-C4' energy: -163.288
flat angles C4'-P-C4' energy: -174.387
flat angles P-C4'-P energy: -115.597
tors. eta vs tors. theta energy: -244.666
Dist. restrs. and SS energy: 1.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2618.349925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.349925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.319889 (E_RNA)
where:
Base-Base interactions energy: -1807.020
where: short stacking energy: -744.990
Base-Backbone interact. energy: -0.402
local terms energy: -813.898046
where:
bonds (distance) C4'-P energy: -149.925
bonds (distance) P-C4' energy: -164.009
flat angles C4'-P-C4' energy: -162.388
flat angles P-C4'-P energy: -103.887
tors. eta vs tors. theta energy: -233.689
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2429.749689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.749689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.303991 (E_RNA)
where:
Base-Base interactions energy: -1647.356
where: short stacking energy: -701.723
Base-Backbone interact. energy: 2.329
local terms energy: -786.277103
where:
bonds (distance) C4'-P energy: -157.064
bonds (distance) P-C4' energy: -137.977
flat angles C4'-P-C4' energy: -165.897
flat angles P-C4'-P energy: -118.949
tors. eta vs tors. theta energy: -206.390
Dist. restrs. and SS energy: 1.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2277.366512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.366512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.652503 (E_RNA)
where:
Base-Base interactions energy: -1553.968
where: short stacking energy: -626.186
Base-Backbone interact. energy: 2.332
local terms energy: -729.016421
where:
bonds (distance) C4'-P energy: -154.348
bonds (distance) P-C4' energy: -141.504
flat angles C4'-P-C4' energy: -148.438
flat angles P-C4'-P energy: -103.060
tors. eta vs tors. theta energy: -181.666
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2190.296710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.296710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.474181 (E_RNA)
where:
Base-Base interactions energy: -1531.878
where: short stacking energy: -629.013
Base-Backbone interact. energy: 0.194
local terms energy: -660.789899
where:
bonds (distance) C4'-P energy: -102.186
bonds (distance) P-C4' energy: -140.604
flat angles C4'-P-C4' energy: -165.418
flat angles P-C4'-P energy: -84.835
tors. eta vs tors. theta energy: -167.747
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: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2046.743429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.743429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.256903 (E_RNA)
where:
Base-Base interactions energy: -1384.787
where: short stacking energy: -603.797
Base-Backbone interact. energy: 2.450
local terms energy: -667.920092
where:
bonds (distance) C4'-P energy: -122.148
bonds (distance) P-C4' energy: -150.672
flat angles C4'-P-C4' energy: -144.699
flat angles P-C4'-P energy: -96.819
tors. eta vs tors. theta energy: -153.582
Dist. restrs. and SS energy: 3.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1956.149370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.149370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.604285 (E_RNA)
where:
Base-Base interactions energy: -1295.750
where: short stacking energy: -551.213
Base-Backbone interact. energy: 1.255
local terms energy: -665.109307
where:
bonds (distance) C4'-P energy: -134.404
bonds (distance) P-C4' energy: -145.720
flat angles C4'-P-C4' energy: -144.473
flat angles P-C4'-P energy: -82.309
tors. eta vs tors. theta energy: -158.203
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: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1872.002791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.002791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.633658 (E_RNA)
where:
Base-Base interactions energy: -1299.556
where: short stacking energy: -538.232
Base-Backbone interact. energy: -2.234
local terms energy: -573.844079
where:
bonds (distance) C4'-P energy: -110.484
bonds (distance) P-C4' energy: -119.620
flat angles C4'-P-C4' energy: -124.385
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -133.223
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: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2940.553697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.553697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.983843 (E_RNA)
where:
Base-Base interactions energy: -2059.539
where: short stacking energy: -852.017
Base-Backbone interact. energy: -3.266
local terms energy: -880.178721
where:
bonds (distance) C4'-P energy: -160.404
bonds (distance) P-C4' energy: -151.403
flat angles C4'-P-C4' energy: -172.659
flat angles P-C4'-P energy: -137.410
tors. eta vs tors. theta energy: -258.302
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2851.180354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.180354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.617202 (E_RNA)
where:
Base-Base interactions energy: -1994.074
where: short stacking energy: -847.443
Base-Backbone interact. energy: -0.531
local terms energy: -858.012763
where:
bonds (distance) C4'-P energy: -157.272
bonds (distance) P-C4' energy: -160.990
flat angles C4'-P-C4' energy: -183.819
flat angles P-C4'-P energy: -110.857
tors. eta vs tors. theta energy: -245.075
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: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2704.299852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.299852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.226927 (E_RNA)
where:
Base-Base interactions energy: -1875.200
where: short stacking energy: -792.081
Base-Backbone interact. energy: -2.314
local terms energy: -828.712943
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -154.657
flat angles C4'-P-C4' energy: -182.436
flat angles P-C4'-P energy: -122.934
tors. eta vs tors. theta energy: -227.840
Dist. restrs. and SS energy: 1.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2616.426185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.426185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.406117 (E_RNA)
where:
Base-Base interactions energy: -1817.180
where: short stacking energy: -751.597
Base-Backbone interact. energy: 0.049
local terms energy: -802.275104
where:
bonds (distance) C4'-P energy: -136.715
bonds (distance) P-C4' energy: -150.350
flat angles C4'-P-C4' energy: -181.111
flat angles P-C4'-P energy: -96.982
tors. eta vs tors. theta energy: -237.118
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2482.133741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.133741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.693851 (E_RNA)
where:
Base-Base interactions energy: -1714.618
where: short stacking energy: -718.360
Base-Backbone interact. energy: 0.093
local terms energy: -769.168562
where:
bonds (distance) C4'-P energy: -134.863
bonds (distance) P-C4' energy: -132.417
flat angles C4'-P-C4' energy: -183.171
flat angles P-C4'-P energy: -117.805
tors. eta vs tors. theta energy: -200.912
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2304.879836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.879836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.254037 (E_RNA)
where:
Base-Base interactions energy: -1556.516
where: short stacking energy: -642.334
Base-Backbone interact. energy: -3.109
local terms energy: -747.628562
where:
bonds (distance) C4'-P energy: -140.471
bonds (distance) P-C4' energy: -152.674
flat angles C4'-P-C4' energy: -170.145
flat angles P-C4'-P energy: -103.056
tors. eta vs tors. theta energy: -181.282
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: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2216.116900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.116900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.971049 (E_RNA)
where:
Base-Base interactions energy: -1506.693
where: short stacking energy: -636.576
Base-Backbone interact. energy: 2.767
local terms energy: -715.045759
where:
bonds (distance) C4'-P energy: -140.461
bonds (distance) P-C4' energy: -143.250
flat angles C4'-P-C4' energy: -153.613
flat angles P-C4'-P energy: -106.912
tors. eta vs tors. theta energy: -170.810
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: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2050.190466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.190466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.004013 (E_RNA)
where:
Base-Base interactions energy: -1391.203
where: short stacking energy: -579.503
Base-Backbone interact. energy: -1.238
local terms energy: -660.563504
where:
bonds (distance) C4'-P energy: -120.945
bonds (distance) P-C4' energy: -136.774
flat angles C4'-P-C4' energy: -152.026
flat angles P-C4'-P energy: -100.765
tors. eta vs tors. theta energy: -150.054
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1976.035592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.035592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.103611 (E_RNA)
where:
Base-Base interactions energy: -1353.630
where: short stacking energy: -563.241
Base-Backbone interact. energy: 0.447
local terms energy: -624.920660
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -118.987
flat angles C4'-P-C4' energy: -143.647
flat angles P-C4'-P energy: -83.932
tors. eta vs tors. theta energy: -156.407
Dist. restrs. and SS energy: 2.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1906.767832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.767832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.702169 (E_RNA)
where:
Base-Base interactions energy: -1311.071
where: short stacking energy: -558.590
Base-Backbone interact. energy: -3.440
local terms energy: -595.191157
where:
bonds (distance) C4'-P energy: -115.750
bonds (distance) P-C4' energy: -111.668
flat angles C4'-P-C4' energy: -134.866
flat angles P-C4'-P energy: -83.877
tors. eta vs tors. theta energy: -149.031
Dist. restrs. and SS energy: 2.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2943.396417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.396417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.467917 (E_RNA)
where:
Base-Base interactions energy: -2049.244
where: short stacking energy: -823.828
Base-Backbone interact. energy: -3.950
local terms energy: -892.273899
where:
bonds (distance) C4'-P energy: -159.556
bonds (distance) P-C4' energy: -176.377
flat angles C4'-P-C4' energy: -188.630
flat angles P-C4'-P energy: -124.704
tors. eta vs tors. theta energy: -243.007
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: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2854.487188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.487188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.560706 (E_RNA)
where:
Base-Base interactions energy: -1987.895
where: short stacking energy: -843.589
Base-Backbone interact. energy: -3.477
local terms energy: -865.188266
where:
bonds (distance) C4'-P energy: -139.936
bonds (distance) P-C4' energy: -149.804
flat angles C4'-P-C4' energy: -188.258
flat angles P-C4'-P energy: -132.433
tors. eta vs tors. theta energy: -254.757
Dist. restrs. and SS energy: 2.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2710.752394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.752394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.193950 (E_RNA)
where:
Base-Base interactions energy: -1873.327
where: short stacking energy: -795.308
Base-Backbone interact. energy: -0.084
local terms energy: -839.782541
where:
bonds (distance) C4'-P energy: -152.383
bonds (distance) P-C4' energy: -144.426
flat angles C4'-P-C4' energy: -174.061
flat angles P-C4'-P energy: -124.640
tors. eta vs tors. theta energy: -244.273
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: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2549.241751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.241751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.739458 (E_RNA)
where:
Base-Base interactions energy: -1747.957
where: short stacking energy: -737.243
Base-Backbone interact. energy: 2.064
local terms energy: -805.846761
where:
bonds (distance) C4'-P energy: -140.587
bonds (distance) P-C4' energy: -145.578
flat angles C4'-P-C4' energy: -180.318
flat angles P-C4'-P energy: -115.537
tors. eta vs tors. theta energy: -223.827
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2431.134301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.134301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.711025 (E_RNA)
where:
Base-Base interactions energy: -1678.153
where: short stacking energy: -733.620
Base-Backbone interact. energy: -1.280
local terms energy: -753.278385
where:
bonds (distance) C4'-P energy: -139.960
bonds (distance) P-C4' energy: -139.205
flat angles C4'-P-C4' energy: -166.338
flat angles P-C4'-P energy: -98.202
tors. eta vs tors. theta energy: -209.573
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2275.711811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.711811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.726060 (E_RNA)
where:
Base-Base interactions energy: -1566.132
where: short stacking energy: -631.148
Base-Backbone interact. energy: -2.218
local terms energy: -708.376557
where:
bonds (distance) C4'-P energy: -133.392
bonds (distance) P-C4' energy: -142.378
flat angles C4'-P-C4' energy: -156.361
flat angles P-C4'-P energy: -104.246
tors. eta vs tors. theta energy: -172.000
Dist. restrs. and SS energy: 1.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2133.566853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.566853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.253710 (E_RNA)
where:
Base-Base interactions energy: -1451.123
where: short stacking energy: -575.868
Base-Backbone interact. energy: 1.322
local terms energy: -685.452490
where:
bonds (distance) C4'-P energy: -128.984
bonds (distance) P-C4' energy: -151.877
flat angles C4'-P-C4' energy: -153.542
flat angles P-C4'-P energy: -100.313
tors. eta vs tors. theta energy: -150.737
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1988.454222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.454222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.248195 (E_RNA)
where:
Base-Base interactions energy: -1315.888
where: short stacking energy: -544.919
Base-Backbone interact. energy: -0.748
local terms energy: -673.612927
where:
bonds (distance) C4'-P energy: -130.480
bonds (distance) P-C4' energy: -133.774
flat angles C4'-P-C4' energy: -152.652
flat angles P-C4'-P energy: -108.245
tors. eta vs tors. theta energy: -148.461
Dist. restrs. and SS energy: 1.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1956.679635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.679635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.444373 (E_RNA)
where:
Base-Base interactions energy: -1312.996
where: short stacking energy: -530.521
Base-Backbone interact. energy: -1.157
local terms energy: -645.291232
where:
bonds (distance) C4'-P energy: -118.127
bonds (distance) P-C4' energy: -139.833
flat angles C4'-P-C4' energy: -151.204
flat angles P-C4'-P energy: -92.502
tors. eta vs tors. theta energy: -143.625
Dist. restrs. and SS energy: 2.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1910.709983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.709983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.835569 (E_RNA)
where:
Base-Base interactions energy: -1307.977
where: short stacking energy: -551.847
Base-Backbone interact. energy: -1.111
local terms energy: -603.747652
where:
bonds (distance) C4'-P energy: -115.002
bonds (distance) P-C4' energy: -137.327
flat angles C4'-P-C4' energy: -138.051
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -132.908
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: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2923.033696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.033696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.397687 (E_RNA)
where:
Base-Base interactions energy: -2059.386
where: short stacking energy: -847.035
Base-Backbone interact. energy: 10.700
local terms energy: -876.712216
where:
bonds (distance) C4'-P energy: -163.977
bonds (distance) P-C4' energy: -164.658
flat angles C4'-P-C4' energy: -170.098
flat angles P-C4'-P energy: -124.581
tors. eta vs tors. theta energy: -253.399
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: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2841.524448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.524448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.471883 (E_RNA)
where:
Base-Base interactions energy: -2001.087
where: short stacking energy: -849.251
Base-Backbone interact. energy: 4.542
local terms energy: -846.926925
where:
bonds (distance) C4'-P energy: -158.344
bonds (distance) P-C4' energy: -147.043
flat angles C4'-P-C4' energy: -184.503
flat angles P-C4'-P energy: -116.067
tors. eta vs tors. theta energy: -240.970
Dist. restrs. and SS energy: 1.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2738.265872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.265872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.158038 (E_RNA)
where:
Base-Base interactions energy: -1871.433
where: short stacking energy: -773.212
Base-Backbone interact. energy: -3.004
local terms energy: -866.720799
where:
bonds (distance) C4'-P energy: -158.071
bonds (distance) P-C4' energy: -170.414
flat angles C4'-P-C4' energy: -179.939
flat angles P-C4'-P energy: -118.124
tors. eta vs tors. theta energy: -240.174
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: 477
Temperature: 1.050000
Total energy: -2617.660438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.660438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.272501 (E_RNA)
where:
Base-Base interactions energy: -1777.288
where: short stacking energy: -751.666
Base-Backbone interact. energy: -0.520
local terms energy: -841.464318
where:
bonds (distance) C4'-P energy: -159.507
bonds (distance) P-C4' energy: -154.691
flat angles C4'-P-C4' energy: -167.852
flat angles P-C4'-P energy: -130.957
tors. eta vs tors. theta energy: -228.457
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: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2443.756576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.756576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.289706 (E_RNA)
where:
Base-Base interactions energy: -1650.212
where: short stacking energy: -716.450
Base-Backbone interact. energy: -3.152
local terms energy: -791.926102
where:
bonds (distance) C4'-P energy: -152.916
bonds (distance) P-C4' energy: -145.405
flat angles C4'-P-C4' energy: -183.024
flat angles P-C4'-P energy: -104.885
tors. eta vs tors. theta energy: -205.697
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: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2266.253756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.253756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.646825 (E_RNA)
where:
Base-Base interactions energy: -1558.122
where: short stacking energy: -648.987
Base-Backbone interact. energy: -1.665
local terms energy: -708.859761
where:
bonds (distance) C4'-P energy: -127.392
bonds (distance) P-C4' energy: -126.180
flat angles C4'-P-C4' energy: -168.569
flat angles P-C4'-P energy: -102.018
tors. eta vs tors. theta energy: -184.701
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: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2118.641396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.641396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.566359 (E_RNA)
where:
Base-Base interactions energy: -1431.756
where: short stacking energy: -603.411
Base-Backbone interact. energy: 0.373
local terms energy: -689.183351
where:
bonds (distance) C4'-P energy: -143.667
bonds (distance) P-C4' energy: -153.522
flat angles C4'-P-C4' energy: -143.358
flat angles P-C4'-P energy: -99.867
tors. eta vs tors. theta energy: -148.770
Dist. restrs. and SS energy: 1.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -2028.059000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.059000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.928750 (E_RNA)
where:
Base-Base interactions energy: -1367.953
where: short stacking energy: -595.946
Base-Backbone interact. energy: 4.803
local terms energy: -667.778775
where:
bonds (distance) C4'-P energy: -148.837
bonds (distance) P-C4' energy: -135.164
flat angles C4'-P-C4' energy: -142.431
flat angles P-C4'-P energy: -81.234
tors. eta vs tors. theta energy: -160.112
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1895.453334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.453334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.288011 (E_RNA)
where:
Base-Base interactions energy: -1296.929
where: short stacking energy: -553.644
Base-Backbone interact. energy: -0.444
local terms energy: -599.914777
where:
bonds (distance) C4'-P energy: -118.665
bonds (distance) P-C4' energy: -131.796
flat angles C4'-P-C4' energy: -130.255
flat angles P-C4'-P energy: -76.710
tors. eta vs tors. theta energy: -142.489
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1893.589277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.577974 (E_RNA)
where:
Base-Base interactions energy: -1293.858
where: short stacking energy: -527.542
Base-Backbone interact. energy: -3.304
local terms energy: -599.416288
where:
bonds (distance) C4'-P energy: -110.414
bonds (distance) P-C4' energy: -115.086
flat angles C4'-P-C4' energy: -137.625
flat angles P-C4'-P energy: -99.219
tors. eta vs tors. theta energy: -137.071
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: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2962.266665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.266665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.116745 (E_RNA)
where:
Base-Base interactions energy: -2064.479
where: short stacking energy: -855.068
Base-Backbone interact. energy: -1.667
local terms energy: -896.970507
where:
bonds (distance) C4'-P energy: -164.247
bonds (distance) P-C4' energy: -163.248
flat angles C4'-P-C4' energy: -193.338
flat angles P-C4'-P energy: -119.861
tors. eta vs tors. theta energy: -256.278
Dist. restrs. and SS energy: 0.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2848.410311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.410311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.735394 (E_RNA)
where:
Base-Base interactions energy: -1982.909
where: short stacking energy: -847.179
Base-Backbone interact. energy: 0.061
local terms energy: -867.887312
where:
bonds (distance) C4'-P energy: -153.264
bonds (distance) P-C4' energy: -148.902
flat angles C4'-P-C4' energy: -184.277
flat angles P-C4'-P energy: -130.978
tors. eta vs tors. theta energy: -250.466
Dist. restrs. and SS energy: 2.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2712.924275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.924275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.378966 (E_RNA)
where:
Base-Base interactions energy: -1855.194
where: short stacking energy: -777.110
Base-Backbone interact. energy: -3.390
local terms energy: -855.795054
where:
bonds (distance) C4'-P energy: -150.126
bonds (distance) P-C4' energy: -167.900
flat angles C4'-P-C4' energy: -185.709
flat angles P-C4'-P energy: -120.058
tors. eta vs tors. theta energy: -232.001
Dist. restrs. and SS energy: 1.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2597.618486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.618486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.589353 (E_RNA)
where:
Base-Base interactions energy: -1784.573
where: short stacking energy: -753.280
Base-Backbone interact. energy: 2.392
local terms energy: -818.407706
where:
bonds (distance) C4'-P energy: -150.319
bonds (distance) P-C4' energy: -137.118
flat angles C4'-P-C4' energy: -188.270
flat angles P-C4'-P energy: -118.077
tors. eta vs tors. theta energy: -224.624
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2449.390722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.390722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.619939 (E_RNA)
where:
Base-Base interactions energy: -1669.876
where: short stacking energy: -676.073
Base-Backbone interact. energy: -4.867
local terms energy: -775.876908
where:
bonds (distance) C4'-P energy: -134.823
bonds (distance) P-C4' energy: -164.960
flat angles C4'-P-C4' energy: -175.777
flat angles P-C4'-P energy: -107.039
tors. eta vs tors. theta energy: -193.277
Dist. restrs. and SS energy: 1.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2292.701787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.701787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.813948 (E_RNA)
where:
Base-Base interactions energy: -1566.386
where: short stacking energy: -641.705
Base-Backbone interact. energy: -3.434
local terms energy: -724.993688
where:
bonds (distance) C4'-P energy: -140.697
bonds (distance) P-C4' energy: -134.487
flat angles C4'-P-C4' energy: -157.072
flat angles P-C4'-P energy: -112.750
tors. eta vs tors. theta energy: -179.988
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2137.949472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.949472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.571748 (E_RNA)
where:
Base-Base interactions energy: -1465.638
where: short stacking energy: -619.742
Base-Backbone interact. energy: 2.714
local terms energy: -676.648238
where:
bonds (distance) C4'-P energy: -131.928
bonds (distance) P-C4' energy: -142.588
flat angles C4'-P-C4' energy: -155.407
flat angles P-C4'-P energy: -102.401
tors. eta vs tors. theta energy: -144.324
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1983.987600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.987600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.319765 (E_RNA)
where:
Base-Base interactions energy: -1338.279
where: short stacking energy: -558.621
Base-Backbone interact. energy: -1.477
local terms energy: -647.563650
where:
bonds (distance) C4'-P energy: -135.245
bonds (distance) P-C4' energy: -128.751
flat angles C4'-P-C4' energy: -136.607
flat angles P-C4'-P energy: -104.901
tors. eta vs tors. theta energy: -142.060
Dist. restrs. and SS energy: 3.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1940.385491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.385491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.173418 (E_RNA)
where:
Base-Base interactions energy: -1350.303
where: short stacking energy: -576.412
Base-Backbone interact. energy: -1.780
local terms energy: -591.091056
where:
bonds (distance) C4'-P energy: -113.369
bonds (distance) P-C4' energy: -126.008
flat angles C4'-P-C4' energy: -126.954
flat angles P-C4'-P energy: -81.607
tors. eta vs tors. theta energy: -143.153
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1874.578962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.578962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.858041 (E_RNA)
where:
Base-Base interactions energy: -1291.883
where: short stacking energy: -533.466
Base-Backbone interact. energy: 0.927
local terms energy: -585.901738
where:
bonds (distance) C4'-P energy: -102.141
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -131.471
flat angles P-C4'-P energy: -92.010
tors. eta vs tors. theta energy: -141.721
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: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2926.759520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.759520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.731960 (E_RNA)
where:
Base-Base interactions energy: -2057.694
where: short stacking energy: -838.286
Base-Backbone interact. energy: 1.677
local terms energy: -872.715466
where:
bonds (distance) C4'-P energy: -164.761
bonds (distance) P-C4' energy: -161.896
flat angles C4'-P-C4' energy: -183.771
flat angles P-C4'-P energy: -121.167
tors. eta vs tors. theta energy: -241.121
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: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2828.578059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.578059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.737647 (E_RNA)
where:
Base-Base interactions energy: -1966.625
where: short stacking energy: -828.982
Base-Backbone interact. energy: 1.763
local terms energy: -865.874950
where:
bonds (distance) C4'-P energy: -147.245
bonds (distance) P-C4' energy: -152.510
flat angles C4'-P-C4' energy: -188.075
flat angles P-C4'-P energy: -126.412
tors. eta vs tors. theta energy: -251.635
Dist. restrs. and SS energy: 2.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2690.542032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.542032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.188595 (E_RNA)
where:
Base-Base interactions energy: -1873.896
where: short stacking energy: -794.851
Base-Backbone interact. energy: 1.075
local terms energy: -819.367961
where:
bonds (distance) C4'-P energy: -159.541
bonds (distance) P-C4' energy: -141.703
flat angles C4'-P-C4' energy: -167.159
flat angles P-C4'-P energy: -123.883
tors. eta vs tors. theta energy: -227.081
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: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2601.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.693760 (E_RNA)
where:
Base-Base interactions energy: -1780.818
where: short stacking energy: -744.851
Base-Backbone interact. energy: -1.162
local terms energy: -822.714471
where:
bonds (distance) C4'-P energy: -133.077
bonds (distance) P-C4' energy: -160.760
flat angles C4'-P-C4' energy: -185.527
flat angles P-C4'-P energy: -112.804
tors. eta vs tors. theta energy: -230.547
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2466.205041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.205041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.870604 (E_RNA)
where:
Base-Base interactions energy: -1692.019
where: short stacking energy: -738.717
Base-Backbone interact. energy: -3.785
local terms energy: -775.065904
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -146.080
flat angles C4'-P-C4' energy: -164.428
flat angles P-C4'-P energy: -115.068
tors. eta vs tors. theta energy: -221.765
Dist. restrs. and SS energy: 4.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2253.018356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.018356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.701246 (E_RNA)
where:
Base-Base interactions energy: -1546.640
where: short stacking energy: -641.943
Base-Backbone interact. energy: -2.869
local terms energy: -705.191768
where:
bonds (distance) C4'-P energy: -117.677
bonds (distance) P-C4' energy: -148.559
flat angles C4'-P-C4' energy: -169.273
flat angles P-C4'-P energy: -105.779
tors. eta vs tors. theta energy: -163.904
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: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2169.726096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.726096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.094818 (E_RNA)
where:
Base-Base interactions energy: -1477.926
where: short stacking energy: -591.976
Base-Backbone interact. energy: 5.510
local terms energy: -699.678587
where:
bonds (distance) C4'-P energy: -141.053
bonds (distance) P-C4' energy: -136.600
flat angles C4'-P-C4' energy: -162.026
flat angles P-C4'-P energy: -101.502
tors. eta vs tors. theta energy: -158.498
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: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -2005.299487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.299487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.467210 (E_RNA)
where:
Base-Base interactions energy: -1390.733
where: short stacking energy: -586.048
Base-Backbone interact. energy: 13.064
local terms energy: -628.798280
where:
bonds (distance) C4'-P energy: -128.608
bonds (distance) P-C4' energy: -119.881
flat angles C4'-P-C4' energy: -147.559
flat angles P-C4'-P energy: -80.083
tors. eta vs tors. theta energy: -152.668
Dist. restrs. and SS energy: 1.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1946.791111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.791111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.670234 (E_RNA)
where:
Base-Base interactions energy: -1316.747
where: short stacking energy: -545.476
Base-Backbone interact. energy: -1.938
local terms energy: -631.985581
where:
bonds (distance) C4'-P energy: -123.715
bonds (distance) P-C4' energy: -136.854
flat angles C4'-P-C4' energy: -147.225
flat angles P-C4'-P energy: -87.090
tors. eta vs tors. theta energy: -137.102
Dist. restrs. and SS energy: 3.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1922.159774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.159774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.448370 (E_RNA)
where:
Base-Base interactions energy: -1315.978
where: short stacking energy: -522.953
Base-Backbone interact. energy: 3.146
local terms energy: -613.617153
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -127.078
flat angles C4'-P-C4' energy: -135.848
flat angles P-C4'-P energy: -87.532
tors. eta vs tors. theta energy: -148.716
Dist. restrs. and SS energy: 4.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2928.382280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.382280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.952675 (E_RNA)
where:
Base-Base interactions energy: -2029.950
where: short stacking energy: -823.824
Base-Backbone interact. energy: 1.081
local terms energy: -901.083011
where:
bonds (distance) C4'-P energy: -163.482
bonds (distance) P-C4' energy: -180.996
flat angles C4'-P-C4' energy: -195.891
flat angles P-C4'-P energy: -128.308
tors. eta vs tors. theta energy: -232.406
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: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2832.410424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.410424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.192273 (E_RNA)
where:
Base-Base interactions energy: -1969.187
where: short stacking energy: -826.932
Base-Backbone interact. energy: -1.995
local terms energy: -863.009549
where:
bonds (distance) C4'-P energy: -162.276
bonds (distance) P-C4' energy: -151.662
flat angles C4'-P-C4' energy: -176.940
flat angles P-C4'-P energy: -128.658
tors. eta vs tors. theta energy: -243.475
Dist. restrs. and SS energy: 1.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2726.642788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.642788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.238656 (E_RNA)
where:
Base-Base interactions energy: -1865.424
where: short stacking energy: -811.196
Base-Backbone interact. energy: -1.929
local terms energy: -861.885840
where:
bonds (distance) C4'-P energy: -150.125
bonds (distance) P-C4' energy: -164.173
flat angles C4'-P-C4' energy: -181.035
flat angles P-C4'-P energy: -120.358
tors. eta vs tors. theta energy: -246.195
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: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2605.260554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.260554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.761317 (E_RNA)
where:
Base-Base interactions energy: -1769.229
where: short stacking energy: -742.251
Base-Backbone interact. energy: -0.306
local terms energy: -838.227041
where:
bonds (distance) C4'-P energy: -166.584
bonds (distance) P-C4' energy: -135.925
flat angles C4'-P-C4' energy: -186.893
flat angles P-C4'-P energy: -120.816
tors. eta vs tors. theta energy: -228.009
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: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2475.880099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.880099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.783999 (E_RNA)
where:
Base-Base interactions energy: -1712.902
where: short stacking energy: -720.715
Base-Backbone interact. energy: 0.886
local terms energy: -764.767277
where:
bonds (distance) C4'-P energy: -146.315
bonds (distance) P-C4' energy: -159.582
flat angles C4'-P-C4' energy: -163.117
flat angles P-C4'-P energy: -84.997
tors. eta vs tors. theta energy: -210.756
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2251.925229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.925229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.404309 (E_RNA)
where:
Base-Base interactions energy: -1550.554
where: short stacking energy: -656.334
Base-Backbone interact. energy: -2.324
local terms energy: -701.526442
where:
bonds (distance) C4'-P energy: -134.831
bonds (distance) P-C4' energy: -144.049
flat angles C4'-P-C4' energy: -156.501
flat angles P-C4'-P energy: -84.396
tors. eta vs tors. theta energy: -181.749
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2214.192468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.192468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.262161 (E_RNA)
where:
Base-Base interactions energy: -1530.582
where: short stacking energy: -659.536
Base-Backbone interact. energy: -4.825
local terms energy: -679.854946
where:
bonds (distance) C4'-P energy: -98.946
bonds (distance) P-C4' energy: -148.813
flat angles C4'-P-C4' energy: -151.267
flat angles P-C4'-P energy: -94.707
tors. eta vs tors. theta energy: -186.122
Dist. restrs. and SS energy: 1.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2038.533569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.533569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.955171 (E_RNA)
where:
Base-Base interactions energy: -1416.238
where: short stacking energy: -583.917
Base-Backbone interact. energy: 6.013
local terms energy: -630.730024
where:
bonds (distance) C4'-P energy: -138.824
bonds (distance) P-C4' energy: -133.909
flat angles C4'-P-C4' energy: -128.278
flat angles P-C4'-P energy: -88.027
tors. eta vs tors. theta energy: -141.692
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1963.723011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.723011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.534573 (E_RNA)
where:
Base-Base interactions energy: -1335.187
where: short stacking energy: -571.403
Base-Backbone interact. energy: 5.189
local terms energy: -636.536842
where:
bonds (distance) C4'-P energy: -132.161
bonds (distance) P-C4' energy: -121.218
flat angles C4'-P-C4' energy: -147.008
flat angles P-C4'-P energy: -98.108
tors. eta vs tors. theta energy: -138.043
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1856.003393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.003393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.698129 (E_RNA)
where:
Base-Base interactions energy: -1269.413
where: short stacking energy: -505.251
Base-Backbone interact. energy: -2.664
local terms energy: -586.621148
where:
bonds (distance) C4'-P energy: -112.818
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -145.281
flat angles P-C4'-P energy: -79.802
tors. eta vs tors. theta energy: -129.067
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: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -3002.348468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.348468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.081244 (E_RNA)
where:
Base-Base interactions energy: -2131.354
where: short stacking energy: -858.972
Base-Backbone interact. energy: -1.199
local terms energy: -870.528285
where:
bonds (distance) C4'-P energy: -154.912
bonds (distance) P-C4' energy: -167.706
flat angles C4'-P-C4' energy: -181.188
flat angles P-C4'-P energy: -118.119
tors. eta vs tors. theta energy: -248.602
Dist. restrs. and SS energy: 0.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2824.616421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.616421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.775987 (E_RNA)
where:
Base-Base interactions energy: -1939.567
where: short stacking energy: -829.998
Base-Backbone interact. energy: -2.471
local terms energy: -884.738177
where:
bonds (distance) C4'-P energy: -162.871
bonds (distance) P-C4' energy: -168.917
flat angles C4'-P-C4' energy: -181.800
flat angles P-C4'-P energy: -117.427
tors. eta vs tors. theta energy: -253.724
Dist. restrs. and SS energy: 2.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2734.583816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.583816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.108608 (E_RNA)
where:
Base-Base interactions energy: -1897.882
where: short stacking energy: -794.242
Base-Backbone interact. energy: -2.038
local terms energy: -836.188447
where:
bonds (distance) C4'-P energy: -142.442
bonds (distance) P-C4' energy: -153.395
flat angles C4'-P-C4' energy: -181.998
flat angles P-C4'-P energy: -112.853
tors. eta vs tors. theta energy: -245.501
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2586.045110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.045110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.936609 (E_RNA)
where:
Base-Base interactions energy: -1779.594
where: short stacking energy: -767.242
Base-Backbone interact. energy: 3.528
local terms energy: -812.870665
where:
bonds (distance) C4'-P energy: -166.381
bonds (distance) P-C4' energy: -140.905
flat angles C4'-P-C4' energy: -165.099
flat angles P-C4'-P energy: -104.118
tors. eta vs tors. theta energy: -236.367
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2461.946639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.946639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.634221 (E_RNA)
where:
Base-Base interactions energy: -1706.883
where: short stacking energy: -707.238
Base-Backbone interact. energy: -1.043
local terms energy: -755.708359
where:
bonds (distance) C4'-P energy: -148.015
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -171.432
flat angles P-C4'-P energy: -107.540
tors. eta vs tors. theta energy: -196.577
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: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2295.237372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.237372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.706888 (E_RNA)
where:
Base-Base interactions energy: -1575.819
where: short stacking energy: -654.089
Base-Backbone interact. energy: -2.578
local terms energy: -720.309973
where:
bonds (distance) C4'-P energy: -142.445
bonds (distance) P-C4' energy: -155.468
flat angles C4'-P-C4' energy: -153.830
flat angles P-C4'-P energy: -99.711
tors. eta vs tors. theta energy: -168.855
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: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2170.179208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.179208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.462679 (E_RNA)
where:
Base-Base interactions energy: -1467.542
where: short stacking energy: -636.819
Base-Backbone interact. energy: -0.529
local terms energy: -709.391679
where:
bonds (distance) C4'-P energy: -117.261
bonds (distance) P-C4' energy: -152.915
flat angles C4'-P-C4' energy: -169.374
flat angles P-C4'-P energy: -95.851
tors. eta vs tors. theta energy: -173.991
Dist. restrs. and SS energy: 7.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2051.850437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.850437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.352160 (E_RNA)
where:
Base-Base interactions energy: -1371.112
where: short stacking energy: -573.925
Base-Backbone interact. energy: 4.394
local terms energy: -686.633612
where:
bonds (distance) C4'-P energy: -122.468
bonds (distance) P-C4' energy: -150.184
flat angles C4'-P-C4' energy: -157.886
flat angles P-C4'-P energy: -95.199
tors. eta vs tors. theta energy: -160.897
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1936.375517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.375517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.450792 (E_RNA)
where:
Base-Base interactions energy: -1281.831
where: short stacking energy: -534.499
Base-Backbone interact. energy: -2.048
local terms energy: -655.572582
where:
bonds (distance) C4'-P energy: -123.048
bonds (distance) P-C4' energy: -135.487
flat angles C4'-P-C4' energy: -141.312
flat angles P-C4'-P energy: -97.433
tors. eta vs tors. theta energy: -158.293
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: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1893.665584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.665584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.698842 (E_RNA)
where:
Base-Base interactions energy: -1300.913
where: short stacking energy: -525.084
Base-Backbone interact. energy: -0.536
local terms energy: -596.249184
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -116.490
flat angles C4'-P-C4' energy: -144.995
flat angles P-C4'-P energy: -76.650
tors. eta vs tors. theta energy: -153.329
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2975.095550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2975.095550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.373155 (E_RNA)
where:
Base-Base interactions energy: -2116.997
where: short stacking energy: -874.603
Base-Backbone interact. energy: 0.141
local terms energy: -859.517126
where:
bonds (distance) C4'-P energy: -145.185
bonds (distance) P-C4' energy: -148.114
flat angles C4'-P-C4' energy: -188.434
flat angles P-C4'-P energy: -136.720
tors. eta vs tors. theta energy: -241.064
Dist. restrs. and SS energy: 1.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2836.996626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.996626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.463693 (E_RNA)
where:
Base-Base interactions energy: -1975.899
where: short stacking energy: -844.460
Base-Backbone interact. energy: -2.188
local terms energy: -860.376021
where:
bonds (distance) C4'-P energy: -148.305
bonds (distance) P-C4' energy: -159.269
flat angles C4'-P-C4' energy: -189.026
flat angles P-C4'-P energy: -119.228
tors. eta vs tors. theta energy: -244.549
Dist. restrs. and SS energy: 1.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2714.992238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.992238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.144064 (E_RNA)
where:
Base-Base interactions energy: -1879.777
where: short stacking energy: -802.989
Base-Backbone interact. energy: -2.239
local terms energy: -834.128500
where:
bonds (distance) C4'-P energy: -151.833
bonds (distance) P-C4' energy: -155.203
flat angles C4'-P-C4' energy: -175.370
flat angles P-C4'-P energy: -125.052
tors. eta vs tors. theta energy: -226.669
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: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2572.670402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.670402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.986575 (E_RNA)
where:
Base-Base interactions energy: -1759.685
where: short stacking energy: -733.710
Base-Backbone interact. energy: -0.141
local terms energy: -815.160470
where:
bonds (distance) C4'-P energy: -162.906
bonds (distance) P-C4' energy: -159.505
flat angles C4'-P-C4' energy: -174.396
flat angles P-C4'-P energy: -106.869
tors. eta vs tors. theta energy: -211.483
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: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2475.590992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.590992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.180790 (E_RNA)
where:
Base-Base interactions energy: -1730.997
where: short stacking energy: -730.835
Base-Backbone interact. energy: -1.760
local terms energy: -744.423664
where:
bonds (distance) C4'-P energy: -144.751
bonds (distance) P-C4' energy: -124.706
flat angles C4'-P-C4' energy: -152.534
flat angles P-C4'-P energy: -98.616
tors. eta vs tors. theta energy: -223.817
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2324.642057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.642057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.092119 (E_RNA)
where:
Base-Base interactions energy: -1617.512
where: short stacking energy: -677.186
Base-Backbone interact. energy: 3.046
local terms energy: -712.625731
where:
bonds (distance) C4'-P energy: -140.556
bonds (distance) P-C4' energy: -133.652
flat angles C4'-P-C4' energy: -172.161
flat angles P-C4'-P energy: -92.576
tors. eta vs tors. theta energy: -173.681
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: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2152.884087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.884087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.385081 (E_RNA)
where:
Base-Base interactions energy: -1483.993
where: short stacking energy: -613.005
Base-Backbone interact. energy: 1.289
local terms energy: -672.681444
where:
bonds (distance) C4'-P energy: -126.166
bonds (distance) P-C4' energy: -137.877
flat angles C4'-P-C4' energy: -170.874
flat angles P-C4'-P energy: -83.274
tors. eta vs tors. theta energy: -154.491
Dist. restrs. and SS energy: 2.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1998.798681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.798681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.963140 (E_RNA)
where:
Base-Base interactions energy: -1371.728
where: short stacking energy: -563.814
Base-Backbone interact. energy: -1.768
local terms energy: -628.467864
where:
bonds (distance) C4'-P energy: -127.721
bonds (distance) P-C4' energy: -142.323
flat angles C4'-P-C4' energy: -139.413
flat angles P-C4'-P energy: -86.088
tors. eta vs tors. theta energy: -132.923
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1943.373099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.373099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.532202 (E_RNA)
where:
Base-Base interactions energy: -1334.309
where: short stacking energy: -548.955
Base-Backbone interact. energy: 1.092
local terms energy: -612.315442
where:
bonds (distance) C4'-P energy: -115.263
bonds (distance) P-C4' energy: -140.712
flat angles C4'-P-C4' energy: -135.052
flat angles P-C4'-P energy: -71.554
tors. eta vs tors. theta energy: -149.735
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1922.852390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.852390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.662385 (E_RNA)
where:
Base-Base interactions energy: -1322.863
where: short stacking energy: -523.690
Base-Backbone interact. energy: 13.646
local terms energy: -615.445648
where:
bonds (distance) C4'-P energy: -123.894
bonds (distance) P-C4' energy: -120.524
flat angles C4'-P-C4' energy: -145.221
flat angles P-C4'-P energy: -91.206
tors. eta vs tors. theta energy: -134.600
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: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2960.149395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.149395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.066296 (E_RNA)
where:
Base-Base interactions energy: -2104.757
where: short stacking energy: -860.637
Base-Backbone interact. energy: -2.243
local terms energy: -855.065934
where:
bonds (distance) C4'-P energy: -160.269
bonds (distance) P-C4' energy: -143.505
flat angles C4'-P-C4' energy: -190.186
flat angles P-C4'-P energy: -114.125
tors. eta vs tors. theta energy: -246.980
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: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2844.887245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.887245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.834283 (E_RNA)
where:
Base-Base interactions energy: -1983.534
where: short stacking energy: -862.358
Base-Backbone interact. energy: 0.596
local terms energy: -862.896810
where:
bonds (distance) C4'-P energy: -139.904
bonds (distance) P-C4' energy: -159.802
flat angles C4'-P-C4' energy: -190.728
flat angles P-C4'-P energy: -125.335
tors. eta vs tors. theta energy: -247.128
Dist. restrs. and SS energy: 0.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2701.026895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.026895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.849803 (E_RNA)
where:
Base-Base interactions energy: -1862.568
where: short stacking energy: -751.349
Base-Backbone interact. energy: -1.499
local terms energy: -838.782434
where:
bonds (distance) C4'-P energy: -150.388
bonds (distance) P-C4' energy: -150.547
flat angles C4'-P-C4' energy: -171.057
flat angles P-C4'-P energy: -132.496
tors. eta vs tors. theta energy: -234.294
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: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2566.736791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.736791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.621786 (E_RNA)
where:
Base-Base interactions energy: -1743.236
where: short stacking energy: -749.364
Base-Backbone interact. energy: -1.740
local terms energy: -824.645699
where:
bonds (distance) C4'-P energy: -152.225
bonds (distance) P-C4' energy: -143.955
flat angles C4'-P-C4' energy: -173.033
flat angles P-C4'-P energy: -125.766
tors. eta vs tors. theta energy: -229.666
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2457.100530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.100530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.077637 (E_RNA)
where:
Base-Base interactions energy: -1698.767
where: short stacking energy: -697.531
Base-Backbone interact. energy: -4.925
local terms energy: -755.385711
where:
bonds (distance) C4'-P energy: -125.599
bonds (distance) P-C4' energy: -136.580
flat angles C4'-P-C4' energy: -165.229
flat angles P-C4'-P energy: -119.069
tors. eta vs tors. theta energy: -208.909
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: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2369.833168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.833168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.242546 (E_RNA)
where:
Base-Base interactions energy: -1640.962
where: short stacking energy: -680.926
Base-Backbone interact. energy: 10.592
local terms energy: -740.872988
where:
bonds (distance) C4'-P energy: -134.214
bonds (distance) P-C4' energy: -134.642
flat angles C4'-P-C4' energy: -171.678
flat angles P-C4'-P energy: -112.159
tors. eta vs tors. theta energy: -188.179
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: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2107.738583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.738583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.722196 (E_RNA)
where:
Base-Base interactions energy: -1451.166
where: short stacking energy: -622.246
Base-Backbone interact. energy: -0.701
local terms energy: -657.854509
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -133.822
flat angles C4'-P-C4' energy: -145.267
flat angles P-C4'-P energy: -103.092
tors. eta vs tors. theta energy: -146.158
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1961.855610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.855610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.056373 (E_RNA)
where:
Base-Base interactions energy: -1333.586
where: short stacking energy: -544.615
Base-Backbone interact. energy: -3.394
local terms energy: -627.075628
where:
bonds (distance) C4'-P energy: -126.913
bonds (distance) P-C4' energy: -118.798
flat angles C4'-P-C4' energy: -143.808
flat angles P-C4'-P energy: -89.803
tors. eta vs tors. theta energy: -147.753
Dist. restrs. and SS energy: 2.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1982.626292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.626292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.302090 (E_RNA)
where:
Base-Base interactions energy: -1354.440
where: short stacking energy: -573.993
Base-Backbone interact. energy: 4.344
local terms energy: -635.206352
where:
bonds (distance) C4'-P energy: -116.034
bonds (distance) P-C4' energy: -123.261
flat angles C4'-P-C4' energy: -138.764
flat angles P-C4'-P energy: -104.982
tors. eta vs tors. theta energy: -152.165
Dist. restrs. and SS energy: 2.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1881.004051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.004051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.578934 (E_RNA)
where:
Base-Base interactions energy: -1291.722
where: short stacking energy: -530.615
Base-Backbone interact. energy: -0.265
local terms energy: -593.592449
where:
bonds (distance) C4'-P energy: -111.950
bonds (distance) P-C4' energy: -130.436
flat angles C4'-P-C4' energy: -135.424
flat angles P-C4'-P energy: -89.213
tors. eta vs tors. theta energy: -126.570
Dist. restrs. and SS energy: 4.575 (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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2974.901645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.901645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.058743 (E_RNA)
where:
Base-Base interactions energy: -2076.026
where: short stacking energy: -866.821
Base-Backbone interact. energy: -4.000
local terms energy: -896.033256
where:
bonds (distance) C4'-P energy: -148.639
bonds (distance) P-C4' energy: -172.925
flat angles C4'-P-C4' energy: -193.815
flat angles P-C4'-P energy: -125.985
tors. eta vs tors. theta energy: -254.669
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: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2839.987037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.987037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.897312 (E_RNA)
where:
Base-Base interactions energy: -1990.161
where: short stacking energy: -844.594
Base-Backbone interact. energy: -2.572
local terms energy: -850.164503
where:
bonds (distance) C4'-P energy: -152.274
bonds (distance) P-C4' energy: -133.152
flat angles C4'-P-C4' energy: -191.831
flat angles P-C4'-P energy: -129.149
tors. eta vs tors. theta energy: -243.758
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2669.811762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.811762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.887971 (E_RNA)
where:
Base-Base interactions energy: -1844.340
where: short stacking energy: -768.883
Base-Backbone interact. energy: -3.562
local terms energy: -823.985830
where:
bonds (distance) C4'-P energy: -150.218
bonds (distance) P-C4' energy: -171.748
flat angles C4'-P-C4' energy: -176.663
flat angles P-C4'-P energy: -105.602
tors. eta vs tors. theta energy: -219.755
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: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2518.651783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.651783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.130668 (E_RNA)
where:
Base-Base interactions energy: -1727.828
where: short stacking energy: -733.628
Base-Backbone interact. energy: -0.741
local terms energy: -792.561903
where:
bonds (distance) C4'-P energy: -142.898
bonds (distance) P-C4' energy: -148.203
flat angles C4'-P-C4' energy: -175.678
flat angles P-C4'-P energy: -115.055
tors. eta vs tors. theta energy: -210.727
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2513.360347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.360347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.134721 (E_RNA)
where:
Base-Base interactions energy: -1735.439
where: short stacking energy: -727.384
Base-Backbone interact. energy: -0.927
local terms energy: -778.769294
where:
bonds (distance) C4'-P energy: -137.511
bonds (distance) P-C4' energy: -139.204
flat angles C4'-P-C4' energy: -165.105
flat angles P-C4'-P energy: -115.620
tors. eta vs tors. theta energy: -221.328
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2345.033268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.033268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.567062 (E_RNA)
where:
Base-Base interactions energy: -1562.301
where: short stacking energy: -668.167
Base-Backbone interact. energy: -4.889
local terms energy: -781.376810
where:
bonds (distance) C4'-P energy: -146.264
bonds (distance) P-C4' energy: -146.664
flat angles C4'-P-C4' energy: -165.425
flat angles P-C4'-P energy: -119.703
tors. eta vs tors. theta energy: -203.321
Dist. restrs. and SS energy: 3.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2146.680021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.680021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.485405 (E_RNA)
where:
Base-Base interactions energy: -1472.473
where: short stacking energy: -622.169
Base-Backbone interact. energy: -2.102
local terms energy: -677.910499
where:
bonds (distance) C4'-P energy: -105.897
bonds (distance) P-C4' energy: -152.270
flat angles C4'-P-C4' energy: -151.247
flat angles P-C4'-P energy: -102.993
tors. eta vs tors. theta energy: -165.504
Dist. restrs. and SS energy: 5.805 (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: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1965.647978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.647978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.351054 (E_RNA)
where:
Base-Base interactions energy: -1333.623
where: short stacking energy: -571.565
Base-Backbone interact. energy: -2.589
local terms energy: -632.139016
where:
bonds (distance) C4'-P energy: -150.862
bonds (distance) P-C4' energy: -120.027
flat angles C4'-P-C4' energy: -125.923
flat angles P-C4'-P energy: -89.321
tors. eta vs tors. theta energy: -146.007
Dist. restrs. and SS energy: 2.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1946.095457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.095457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.218736 (E_RNA)
where:
Base-Base interactions energy: -1339.347
where: short stacking energy: -546.744
Base-Backbone interact. energy: 3.746
local terms energy: -613.617833
where:
bonds (distance) C4'-P energy: -124.721
bonds (distance) P-C4' energy: -141.187
flat angles C4'-P-C4' energy: -133.552
flat angles P-C4'-P energy: -76.567
tors. eta vs tors. theta energy: -137.590
Dist. restrs. and SS energy: 3.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1826.680895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.680895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.883347 (E_RNA)
where:
Base-Base interactions energy: -1240.353
where: short stacking energy: -501.791
Base-Backbone interact. energy: 5.377
local terms energy: -594.907815
where:
bonds (distance) C4'-P energy: -136.160
bonds (distance) P-C4' energy: -119.134
flat angles C4'-P-C4' energy: -124.964
flat angles P-C4'-P energy: -81.810
tors. eta vs tors. theta energy: -132.841
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: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2974.089993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.089993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2975.741281 (E_RNA)
where:
Base-Base interactions energy: -2081.805
where: short stacking energy: -832.796
Base-Backbone interact. energy: -3.080
local terms energy: -890.856722
where:
bonds (distance) C4'-P energy: -162.119
bonds (distance) P-C4' energy: -163.041
flat angles C4'-P-C4' energy: -188.655
flat angles P-C4'-P energy: -130.601
tors. eta vs tors. theta energy: -246.441
Dist. restrs. and SS energy: 1.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2869.852224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.852224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.392302 (E_RNA)
where:
Base-Base interactions energy: -1988.206
where: short stacking energy: -828.349
Base-Backbone interact. energy: -3.580
local terms energy: -880.605740
where:
bonds (distance) C4'-P energy: -152.102
bonds (distance) P-C4' energy: -167.230
flat angles C4'-P-C4' energy: -184.954
flat angles P-C4'-P energy: -125.971
tors. eta vs tors. theta energy: -250.349
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: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2730.346318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.346318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.087583 (E_RNA)
where:
Base-Base interactions energy: -1858.243
where: short stacking energy: -793.798
Base-Backbone interact. energy: -1.683
local terms energy: -872.161839
where:
bonds (distance) C4'-P energy: -159.187
bonds (distance) P-C4' energy: -165.811
flat angles C4'-P-C4' energy: -189.792
flat angles P-C4'-P energy: -124.723
tors. eta vs tors. theta energy: -232.649
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: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2595.591775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.591775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.826332 (E_RNA)
where:
Base-Base interactions energy: -1809.237
where: short stacking energy: -780.224
Base-Backbone interact. energy: -0.357
local terms energy: -789.232665
where:
bonds (distance) C4'-P energy: -158.030
bonds (distance) P-C4' energy: -143.592
flat angles C4'-P-C4' energy: -162.417
flat angles P-C4'-P energy: -96.818
tors. eta vs tors. theta energy: -228.375
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: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2449.710967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.710967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.356066 (E_RNA)
where:
Base-Base interactions energy: -1699.313
where: short stacking energy: -716.853
Base-Backbone interact. energy: -0.609
local terms energy: -751.433295
where:
bonds (distance) C4'-P energy: -131.194
bonds (distance) P-C4' energy: -154.276
flat angles C4'-P-C4' energy: -169.794
flat angles P-C4'-P energy: -86.663
tors. eta vs tors. theta energy: -209.507
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2356.132387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.132387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.553364 (E_RNA)
where:
Base-Base interactions energy: -1650.450
where: short stacking energy: -708.279
Base-Backbone interact. energy: 3.638
local terms energy: -712.741489
where:
bonds (distance) C4'-P energy: -133.114
bonds (distance) P-C4' energy: -142.742
flat angles C4'-P-C4' energy: -149.437
flat angles P-C4'-P energy: -98.966
tors. eta vs tors. theta energy: -188.483
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2210.512480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.512480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.099831 (E_RNA)
where:
Base-Base interactions energy: -1506.756
where: short stacking energy: -648.983
Base-Backbone interact. energy: -1.689
local terms energy: -703.654698
where:
bonds (distance) C4'-P energy: -122.049
bonds (distance) P-C4' energy: -126.654
flat angles C4'-P-C4' energy: -165.375
flat angles P-C4'-P energy: -96.987
tors. eta vs tors. theta energy: -192.589
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: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1994.048176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.048176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.597936 (E_RNA)
where:
Base-Base interactions energy: -1329.162
where: short stacking energy: -571.332
Base-Backbone interact. energy: 5.496
local terms energy: -672.932553
where:
bonds (distance) C4'-P energy: -138.552
bonds (distance) P-C4' energy: -126.460
flat angles C4'-P-C4' energy: -159.227
flat angles P-C4'-P energy: -100.079
tors. eta vs tors. theta energy: -148.614
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1882.662011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.662011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.734832 (E_RNA)
where:
Base-Base interactions energy: -1280.565
where: short stacking energy: -538.676
Base-Backbone interact. energy: 3.485
local terms energy: -613.654513
where:
bonds (distance) C4'-P energy: -113.757
bonds (distance) P-C4' energy: -122.640
flat angles C4'-P-C4' energy: -142.109
flat angles P-C4'-P energy: -81.539
tors. eta vs tors. theta energy: -153.610
Dist. restrs. and SS energy: 8.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1841.918254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.918254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.322752 (E_RNA)
where:
Base-Base interactions energy: -1270.376
where: short stacking energy: -530.792
Base-Backbone interact. energy: 2.679
local terms energy: -578.625064
where:
bonds (distance) C4'-P energy: -116.686
bonds (distance) P-C4' energy: -135.778
flat angles C4'-P-C4' energy: -119.288
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -127.886
Dist. restrs. and SS energy: 4.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2945.606896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.606896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.956735 (E_RNA)
where:
Base-Base interactions energy: -2070.805
where: short stacking energy: -836.385
Base-Backbone interact. energy: -4.143
local terms energy: -872.008449
where:
bonds (distance) C4'-P energy: -163.409
bonds (distance) P-C4' energy: -154.614
flat angles C4'-P-C4' energy: -182.920
flat angles P-C4'-P energy: -120.252
tors. eta vs tors. theta energy: -250.814
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: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2889.228544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.228544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.622429 (E_RNA)
where:
Base-Base interactions energy: -1980.107
where: short stacking energy: -834.094
Base-Backbone interact. energy: -4.035
local terms energy: -906.480765
where:
bonds (distance) C4'-P energy: -166.650
bonds (distance) P-C4' energy: -170.117
flat angles C4'-P-C4' energy: -190.300
flat angles P-C4'-P energy: -127.828
tors. eta vs tors. theta energy: -251.585
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2709.140610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.140610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.702422 (E_RNA)
where:
Base-Base interactions energy: -1873.588
where: short stacking energy: -787.557
Base-Backbone interact. energy: -1.806
local terms energy: -835.307978
where:
bonds (distance) C4'-P energy: -141.922
bonds (distance) P-C4' energy: -149.521
flat angles C4'-P-C4' energy: -174.340
flat angles P-C4'-P energy: -130.907
tors. eta vs tors. theta energy: -238.618
Dist. restrs. and SS energy: 1.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2516.634995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.634995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.670740 (E_RNA)
where:
Base-Base interactions energy: -1679.757
where: short stacking energy: -721.951
Base-Backbone interact. energy: -0.884
local terms energy: -839.029496
where:
bonds (distance) C4'-P energy: -171.669
bonds (distance) P-C4' energy: -142.745
flat angles C4'-P-C4' energy: -172.018
flat angles P-C4'-P energy: -119.209
tors. eta vs tors. theta energy: -233.389
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: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2432.325577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.325577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.240876 (E_RNA)
where:
Base-Base interactions energy: -1648.060
where: short stacking energy: -697.506
Base-Backbone interact. energy: 1.309
local terms energy: -789.490301
where:
bonds (distance) C4'-P energy: -152.785
bonds (distance) P-C4' energy: -167.377
flat angles C4'-P-C4' energy: -164.717
flat angles P-C4'-P energy: -96.258
tors. eta vs tors. theta energy: -208.353
Dist. restrs. and SS energy: 3.915 (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: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2375.689631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.689631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.068572 (E_RNA)
where:
Base-Base interactions energy: -1634.500
where: short stacking energy: -669.248
Base-Backbone interact. energy: -0.797
local terms energy: -742.771519
where:
bonds (distance) C4'-P energy: -145.177
bonds (distance) P-C4' energy: -141.492
flat angles C4'-P-C4' energy: -161.949
flat angles P-C4'-P energy: -101.519
tors. eta vs tors. theta energy: -192.634
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: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2160.043429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.043429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.640059 (E_RNA)
where:
Base-Base interactions energy: -1434.845
where: short stacking energy: -595.832
Base-Backbone interact. energy: -0.607
local terms energy: -727.187911
where:
bonds (distance) C4'-P energy: -139.768
bonds (distance) P-C4' energy: -145.244
flat angles C4'-P-C4' energy: -170.579
flat angles P-C4'-P energy: -100.278
tors. eta vs tors. theta energy: -171.320
Dist. restrs. and SS energy: 2.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1962.785147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.785147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.998162 (E_RNA)
where:
Base-Base interactions energy: -1348.256
where: short stacking energy: -570.962
Base-Backbone interact. energy: 1.932
local terms energy: -620.673750
where:
bonds (distance) C4'-P energy: -130.590
bonds (distance) P-C4' energy: -117.338
flat angles C4'-P-C4' energy: -142.923
flat angles P-C4'-P energy: -91.480
tors. eta vs tors. theta energy: -138.343
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: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1925.073209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.073209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.852256 (E_RNA)
where:
Base-Base interactions energy: -1359.569
where: short stacking energy: -581.801
Base-Backbone interact. energy: 3.231
local terms energy: -571.513626
where:
bonds (distance) C4'-P energy: -132.312
bonds (distance) P-C4' energy: -97.681
flat angles C4'-P-C4' energy: -140.250
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -122.438
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: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1845.394652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.394652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.765787 (E_RNA)
where:
Base-Base interactions energy: -1271.960
where: short stacking energy: -515.962
Base-Backbone interact. energy: 8.829
local terms energy: -587.635357
where:
bonds (distance) C4'-P energy: -126.859
bonds (distance) P-C4' energy: -118.724
flat angles C4'-P-C4' energy: -134.649
flat angles P-C4'-P energy: -74.234
tors. eta vs tors. theta energy: -133.171
Dist. restrs. and SS energy: 5.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)